A0A077ZQD0_TRITR Loading...

Deoxyribonuclease (DNase) II

AlphaFold DB , UniProt , Accession A0A077ZQD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 282 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	24.1	Very low	28	Very low	230 Å²	230	132.1 Å²	132.1	100%	1.133	72%	0.716	S	S	*	*				0	45.8	0	-67.3	158.5	64	0	0	112.3
2	H	24.5	Very low	28	Very low	174 Å²	174	132.6 Å²	132.6	81%	0.806	72%	0.715	S	S	*	*			trans	-144.8	101.9	178.1	-65.7	-65.8	0	0	0	110.5
3	S	31.9	Very low	27.9	Very low	84 Å²	84	127.6 Å²	127.6	59%	0.587	71%	0.714	S	S	*	*	S	Bend	trans	172.7	60.4	145.4	59.7	0	0	0	0	111.2
4	L	29.4	Very low	28	Very low	94 Å²	94	124.9 Å²	124.9	49%	0.492	70%	0.701	S	S	.	*	S	Bend	trans	-147.8	49.6	164.9	-80.1	-177.1	0	0	0	110	N127	L4-N127 VanDerWaalsContact CD1-ND2 3.31Å; L4-N127 WeakPolarHBondContact CD1-ND2 3.05Å
5	W	28.2	Very low	27.9	Very low	240 Å²	240	128.9 Å²	128.9	91%	0.909	71%	0.712	S	S	*	*			trans	-151	81.5	174.4	-66.4	93.6	0	0	0	109
6	A	28.2	Very low	27.9	Very low	65 Å²	65	128.6 Å²	128.6	54%	0.537	71%	0.708	S	S	.	*			trans	-163.4	67	164.9	0	0	0	0	0	109.5
7	I	29.8	Very low	27.8	Very low	114 Å²	114	129.1 Å²	129.1	59%	0.585	72%	0.716	S	S	*	*			trans	-122.6	95.1	159.6	-56.4	179	0	0	0	104	L175	I7-L175 HydrophobicContact CD1-CD2 3.45Å; I7-L175 VanDerWaalsContact CD1-CD2 3.45Å
8	L	27.8	Very low	28	Very low	177 Å²	177	128.9 Å²	128.9	93%	0.927	72%	0.719	S	S	*	*			trans	-114.5	129.1	176.2	-139.5	108.4	0	0	0	109.1
9	I	27.9	Very low	28.1	Very low	120 Å²	120	127.5 Å²	127.5	62%	0.615	73%	0.725	S	S	*	*			trans	-69.6	124.2	-169.1	-63.8	158	0	0	0	109.9	A11	I9-A11 HydrophobicContact CG2-CB 4.24Å
10	A	28.3	Very low	28.1	Very low	78 Å²	78	129.9 Å²	129.9	65%	0.645	73%	0.73	S	S	*	*			trans	-107	93.8	161.5	0	0	0	0	0	107.6	I12	A10-I12 PolarHBondContact O-N 3.48Å
11	A	28.2	Very low	28.6	Very low	77 Å²	77	129.1 Å²	129.1	64%	0.636	73%	0.733	S	S	*	*			trans	-83.5	107.3	171.7	0	0	0	0	0	108.3	I9	I9-A11 HydrophobicContact CG2-CB 4.24Å
12	I	27.8	Very low	28.9	Very low	138 Å²	138	124.6 Å²	124.6	71%	0.708	71%	0.714	S	S	*	*			trans	-106.1	114	167.6	-63.2	176.2	0	0	0	106.5	A10 V14	A10-I12 PolarHBondContact O-N 3.48Å; I12-V14 HydrophobicContact CG2-CG2 4.5Å
13	G	26.7	Very low	29.3	Very low	68 Å²	68	124.6 Å²	124.6	70%	0.701	72%	0.72	S	S	*	*			trans	-69.1	126.3	179.4	0	0	0	0	0	111.3
14	V	29.2	Very low	29.1	Very low	89 Å²	89	126.6 Å²	126.6	54%	0.539	73%	0.728	S	S	.	*			trans	-138.9	134.8	167.4	-174.9	0	0	0	0	109.1	I12	I12-V14 HydrophobicContact CG2-CG2 4.5Å
15	H	26.3	Very low	29.1	Very low	185 Å²	185	128.1 Å²	128.1	86%	0.856	74%	0.742	S	S	*	*			trans	-56.9	133	-172.2	-114	-89	0	0	0	113.6
16	L	28.5	Very low	29.3	Very low	125 Å²	125	123.5 Å²	123.5	65%	0.654	74%	0.74	S	S	*	*			trans	-69.4	130.2	172.6	-89.6	80.7	0	0	0	111.2	A61	L16-A61 HydrophobicContact CD1-CB 4Å
17	T	26.9	Very low	30	Very low	136 Å²	136	124.1 Å²	124.1	83%	0.834	75%	0.745	S	S	*	*			trans	-104.2	125.8	143.8	45.9	0	0	0	0	107.5	A19	T17-A19 PolarHBondContact O-N 2.88Å; T17-A19 VanDerWaalsContact O-N 3.13Å
18	T	30.5	Very low	31.1	Very low	127 Å²	127	123.6 Å²	123.6	78%	0.779	75%	0.752	S	S	*	*			trans	-67.4	104.4	-178.2	48.2	0	0	0	0	109.9	Q20	T18-Q20 PolarHBondContact O-N 2.98Å
19	A	30.5	Very low	32.7	Very low	101 Å²	101	122.5 Å²	122.5	84%	0.835	74%	0.742	S	S	*	*			trans	-85.2	100.3	164.9	0	0	0	0	0	108.3	T17 S21	T17-A19 PolarHBondContact O-N 2.88Å; T17-A19 VanDerWaalsContact O-N 3.13Å; A19-S21 PolarHBondContact O-N 3.48Å
20	Q	28.5	Very low	35	Very low	175 Å²	175	119 Å²	119	82%	0.818	73%	0.727	S	S	*	*			trans	-75.6	111.8	173.6	-158.9	165.9	-4	0	0	107.6	T18 N22	T18-Q20 PolarHBondContact O-N 2.98Å; Q20-N22 PolarHBondContact O-N 3.24Å
21	S	37.7	Very low	37.9	Very low	115 Å²	115	116.9 Å²	116.9	80%	0.804	71%	0.705	S	S	*	*			trans	-73.1	108.8	178.3	63.3	0	0	0	0	109.5	A19 N23	A19-S21 PolarHBondContact O-N 3.48Å; S21-N23 PolarHBondContact O-N 3.41Å
22	N	30.6	Very low	41	Very low	135 Å²	135	114.4 Å²	114.4	72%	0.722	68%	0.682	S	S	*	*			trans	-65.9	119.4	171.2	-73.9	-24.3	0	0	0	109.3	Q20 T24	Q20-N22 PolarHBondContact O-N 3.24Å; N22-T24 VanDerWaalsContact C-N 3.33Å; N22-T24 PolarHBondContact O-N 2.74Å; N22-T24 PolarHBondContact O-OG1 2.99Å
23	N	32.6	Very low	44.3	Very low	174 Å²	174	107.8 Å²	107.8	93%	0.93	65%	0.648	S	S	*	*			trans	-57.2	94.9	171.9	-125.9	4.5	0	0	0	108.6	S21	S21-N23 PolarHBondContact O-N 3.41Å
24	T	27.6	Very low	47.5	Very low	125 Å²	125	107.3 Å²	107.3	77%	0.767	63%	0.629	S	S	*	*			trans	-122.6	137.3	172.4	44.4	0	0	0	0	107.9	N22	N22-T24 VanDerWaalsContact C-N 3.33Å; N22-T24 PolarHBondContact O-N 2.74Å; N22-T24 PolarHBondContact O-OG1 2.99Å
25	T	30.1	Very low	50.7	Low	127 Å²	127	103.2 Å²	103.2	78%	0.779	60%	0.604	S	S	*	*			trans	-65.8	141.5	-164.5	43.2	0	0	0	0	114.4
26	T	32.7	Very low	53.8	Low	142 Å²	142	99.5 Å²	99.5	87%	0.871	59%	0.59	S	S	*	*			trans	66.9	46.4	145	60.2	0	0	0	0	120.4
27	A	41.6	Very low	56.6	Low	78 Å²	78	97.2 Å²	97.2	65%	0.645	60%	0.597	S	S	*	*			trans	-111.8	132.3	147.1	0	0	0	0	0	108.4	Q29	A27-Q29 PolarHBondContact O-N 3.33Å; A27-Q29 VanDerWaalsContact O-N 3.08Å
28	S	52.8	Low	59.7	Low	103 Å²	103	92.3 Å²	92.3	72%	0.72	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-53	119.2	168.7	-179	0	0	0	0	107.6
29	Q	63	Low	62.7	Low	154 Å²	154	89.8 Å²	89.8	72%	0.72	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-60.3	138.3	175.5	-71.2	-67	-38.2	0	0	108.3	A27	A27-Q29 PolarHBondContact O-N 3.33Å; A27-Q29 VanDerWaalsContact O-N 3.08Å
30	P	76.1	Confident	65.7	Low	48 Å²	48	86.3 Å²	86.3	31%	0.312	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-60.8	150.5	179.2	27.1	-34	0	0	0	109.4	T32 D135	P30-T32 PolarHBondContact O-N 3.33Å; P30-D135 WeakPolarHBondContact CA-OD2 3.24Å
31	I	88.1	Confident	68.8	Low	32 Å²	32	78.7 Å²	78.7	16%	0.164	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-64.4	119.3	176.7	-71	-71	0	0	0	110.6	T107 I133 D135 A143 A145	I31-T107 HydrophobicContact CD1-CG2 4.21Å; I31-T107 HydrophobicContact CG1-CG2 4.47Å; I31-I133 HydrophobicContact CG2-CB 4.3Å; I31-I133 HydrophobicContact CG2-CG2 3.15Å; I31-I133 VanDerWaalsContact CG2-O 3.25Å; I31-I133 WeakPolarHBondContact CG2-O 3.12Å; I31-D135 PolarHBondContact N-OD2 2.73Å; I31-A143 CarbonylContact O-C 3.59Å; I31-A143 WeakPolarHBondContact O-CB 3.33Å; I31-A145 HydrophobicContact CG2-CB 4.12Å
32	T	93.3	Very high	71.6	Confident	25 Å²	25	74.4 Å²	74.4	15%	0.153	46%	0.464	C	S	.	.			trans	-138.5	172.9	177.7	66.1	0	0	0	0	111.4	P30 A39 A143 T178	P30-T32 PolarHBondContact O-N 3.33Å; T32-A39 VanDerWaalsContact OG1-CB 3.31Å; T32-A39 WeakPolarHBondContact OG1-CB 3.5Å; T32-A143 HydrophobicContact CG2-CB 4.24Å; T32-T178 HydrophobicContact CG2-CG2 3.57Å
33	C	96.5	Very high	74.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.6	163.9	-60.6	0	0	0	0	110.4	A39 V40 F43 C176 L177 T178	C33-A39 WeakPolarHBondContact O-CA 3.41Å; C33-V40 HydrophobicContact CB-CG2 3.9Å; C33-V40 WeakPolarHBondContact CB-O 3.49Å; C33-V40 PolarHBondContact O-N 3.42Å; C33-F43 HydrophobicContact CB-CD1 3.85Å; C33-F43 HydrophobicContact CB-CE1 3.78Å; C33-C176 VanDerWaalsContact CA-SG 3.56Å; C33-C176 HydrophobicContact CB-CB 3.89Å; C33-C176 WeakPolarHBondContact CB-SG 3.2Å; C33-C176 WeakPolarHBondContact SG-CB 3.37Å; C33-C176 CovalentContact SG-SG 2.03Å; C33-C176 PolarHBondContact SG-SG 3.18Å; C33-L177 PolarHBondContact SG-N 3.19Å; C33-T178 WeakPolarHBondContact CB-OG1 3.35Å; C33-T178 PolarHBondContact N-OG1 2.98Å; C33-T178 PolarHBondContact SG-N 3.49Å; C33-T178 VanDerWaalsContact SG-N 3.4Å; C33-T178 PolarHBondContact SG-OG1 3.47Å; C33-T178 VanDerWaalsContact SG-OG1 3.38Å
34	I	94.9	Very high	77.9	Confident	58 Å²	58	62 Å²	62	30%	0.297	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.2	179.5	-55.9	-178.4	0	0	0	109.1	G38 F43 P79 D82 T83	I34-G38 WeakPolarHBondContact CA-O 3.4Å; I34-F43 WeakPolarHBondContact O-CE1 3.21Å; I34-P79 WeakPolarHBondContact O-CA 3.36Å; I34-P79 WeakPolarHBondContact O-CB 3.28Å; I34-D82 HydrophobicContact CB-CB 4.06Å; I34-D82 HydrophobicContact CG2-CB 3.79Å; I34-T83 PolarHBondContact N-OG1 2.91Å; I34-T83 PolarHBondContact O-OG1 3.33Å
35	A	95	Very high	81.3	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	151.6	173.9	0	0	0	0	0	110.1	G37 G38 V40 F43 L56 V58 P79	A35-G37 PolarHBondContact O-N 3.25Å; A35-G37 VanDerWaalsContact O-N 3.09Å; A35-G38 PolarHBondContact N-O 3.48Å; A35-G38 PolarHBondContact O-N 2.79Å; A35-G38 VanDerWaalsContact O-N 3.08Å; A35-V40 HydrophobicContact CB-CG1 4.17Å; A35-V40 HydrophobicContact CB-CG2 3.9Å; A35-F43 HydrophobicContact CB-CB 4.43Å; A35-F43 HydrophobicContact CB-CD1 3.95Å; A35-F43 HydrophobicContact CB-CG 4.34Å; A35-L56 HydrophobicContact CB-CD2 4.45Å; A35-V58 HydrophobicContact CB-CG1 3.88Å; A35-P79 HydrophobicContact CB-CB 3.89Å
36	L	92.5	Very high	84.5	Confident	108 Å²	108	53.7 Å²	53.7	57%	0.565	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	32.9	177.2	-53.3	176.4	0	0	0	113.8	L56 V58	L36-L56 HydrophobicContact CD2-CD2 3.8Å; L36-L56 HydrophobicContact CG-CD2 4.03Å; L36-V58 HydrophobicContact CD1-CG1 4.22Å; L36-V58 HydrophobicContact CD1-CG2 4.03Å
37	G	87.5	Confident	87.6	Confident	77 Å²	77	47 Å²	47	79%	0.794	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	5.9	177.9	0	0	0	0	0	115.8	A35	A35-G37 PolarHBondContact O-N 3.25Å; A35-G37 VanDerWaalsContact O-N 3.09Å
38	G	91.5	Very high	90	Very high	32 Å²	32	45.8 Å²	45.8	33%	0.33	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	171	-179.4	0	0	0	0	0	114.7	I34 A35	I34-G38 WeakPolarHBondContact CA-O 3.4Å; A35-G38 PolarHBondContact N-O 3.48Å; A35-G38 PolarHBondContact O-N 2.79Å; A35-G38 VanDerWaalsContact O-N 3.08Å
39	A	92.8	Very high	92	Very high	75 Å²	75	43.5 Å²	43.5	62%	0.62	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.2	173.2	0	0	0	0	0	110.6	T32 C33	T32-A39 VanDerWaalsContact OG1-CB 3.31Å; T32-A39 WeakPolarHBondContact OG1-CB 3.5Å; C33-A39 WeakPolarHBondContact O-CA 3.41Å
40	V	93.5	Very high	93.5	Very high	28 Å²	28	41.5 Å²	41.5	17%	0.17	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.3	175.7	-61.2	0	0	0	0	110.4	C33 A35 F43 T178	C33-V40 HydrophobicContact CB-CG2 3.9Å; C33-V40 WeakPolarHBondContact CB-O 3.49Å; C33-V40 PolarHBondContact O-N 3.42Å; A35-V40 HydrophobicContact CB-CG1 4.17Å; A35-V40 HydrophobicContact CB-CG2 3.9Å; V40-F43 HydrophobicContact CG2-CB 4.38Å; V40-F43 HydrophobicContact CG2-CD1 3.75Å; V40-T178 PolarHBondContact O-OG1 3.1Å
41	D	94.9	Very high	94.4	Very high	14 Å²	14	41.2 Å²	41.2	8%	0.075	27%	0.265	C	S	.	.	S	Bend	trans	-73.3	-35.2	-178.8	-168.1	53	0	0	0	112.6	A59 T178 T236 T237 A238	D41-A59 HydrophobicContact CB-CB 3.91Å; D41-T178 VanDerWaalsContact O-CB 3.3Å; D41-T178 WeakPolarHBondContact O-CB 3.37Å; D41-T178 PolarHBondContact O-N 2.96Å; D41-T178 PolarHBondContact O-OG1 3.44Å; D41-T236 VanDerWaalsContact OD1-CB 3.3Å; D41-T236 WeakPolarHBondContact OD1-CB 2.79Å; D41-T236 WeakPolarHBondContact OD2-CB 3.31Å; D41-T236 PolarHBondContact OD2-OG1 2.79Å; D41-T237 PolarHBondContact OD1-N 2.89Å; D41-T237 PolarHBondContact OD1-OG1 2.84Å; D41-T237 VanDerWaalsContact OD1-OG1 3.07Å; D41-A238 HydrophobicContact CB-CB 3.81Å; D41-A238 PolarHBondContact OD1-N 2.93Å; D41-A238 VanDerWaalsContact OD2-CB 3.31Å; D41-A238 WeakPolarHBondContact OD2-CB 3.3Å
42	W	96.7	Very high	94.8	Very high	26 Å²	26	42.7 Å²	42.7	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	159.5	170.8	60.7	-88.6	0	0	0	110.1	I57 A59 P63 C176 L177 I243	W42-I57 HydrophobicContact CH2-CG1 4.28Å; W42-I57 HydrophobicContact CZ3-CG2 4.21Å; W42-A59 HydrophobicContact CD2-CB 4.23Å; W42-A59 HydrophobicContact CG-CB 4.08Å; W42-A59 PolarHBondContact O-N 2.92Å; W42-P63 HydrophobicContact CH2-CB 4.12Å; W42-P63 HydrophobicContact CH2-CG 4.2Å; W42-P63 HydrophobicContact CZ2-CB 4.43Å; W42-P63 HydrophobicContact CZ2-CG 4.02Å; W42-C176 WeakPolarHBondContact CA-O 3.29Å; W42-C176 VanDerWaalsContact CB-O 3.31Å; W42-C176 WeakPolarHBondContact CB-O 3.48Å; W42-L177 HydrophobicContact CB-CD2 3.83Å; W42-I243 HydrophobicContact CD2-CD1 4.34Å; W42-I243 HydrophobicContact CG-CD1 4.43Å; W42-I243 HydrophobicContact CZ2-CD1 3.99Å
43	F	97.5	Very high	94.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.8	165.3	67.1	-105	0	0	0	111.2	C33 I34 A35 V40 V45 L56 I57 V58 P79 T83 L175 C176	C33-F43 HydrophobicContact CB-CD1 3.85Å; C33-F43 HydrophobicContact CB-CE1 3.78Å; I34-F43 WeakPolarHBondContact O-CE1 3.21Å; A35-F43 HydrophobicContact CB-CB 4.43Å; A35-F43 HydrophobicContact CB-CD1 3.95Å; A35-F43 HydrophobicContact CB-CG 4.34Å; V40-F43 HydrophobicContact CG2-CB 4.38Å; V40-F43 HydrophobicContact CG2-CD1 3.75Å; F43-V45 HydrophobicContact CD2-CG2 3.85Å; F43-V45 HydrophobicContact CE2-CG2 3.96Å; F43-L56 HydrophobicContact CB-CD1 3.83Å; F43-L56 HydrophobicContact CD2-CD1 4.13Å; F43-L56 HydrophobicContact CG-CD1 4.21Å; F43-I57 CarbonylContact C-O 3.56Å; F43-I57 VanDerWaalsContact CA-O 3.29Å; F43-I57 WeakPolarHBondContact CA-O 3.49Å; F43-V58 HydrophobicContact CB-CG1 3.95Å; F43-P79 HydrophobicContact CD2-CB 4.39Å; F43-P79 HydrophobicContact CE1-CB 4.17Å; F43-P79 HydrophobicContact CE2-CB 4.05Å; F43-P79 HydrophobicContact CZ-CB 3.93Å; F43-P79 WeakPolarHBondContact CZ-O 3.11Å; F43-T83 WeakPolarHBondContact CE1-OG1 3.33Å; F43-L175 WeakPolarHBondContact O-CA 3.36Å; F43-L175 WeakPolarHBondContact O-CD1 3.37Å; F43-C176 HydrophobicContact CD1-CB 3.75Å; F43-C176 HydrophobicContact CD2-CB 4.11Å; F43-C176 HydrophobicContact CE1-CB 3.34Å; F43-C176 HydrophobicContact CE2-CB 3.72Å; F43-C176 HydrophobicContact CG-CB 4.12Å; F43-C176 HydrophobicContact CZ-CB 3.32Å; F43-C176 PolarHBondContact N-O 2.77Å; F43-C176 PolarHBondContact O-N 2.99Å
44	L	98.2	Very high	94.9	Very high	46 Å²	46	43.9 Å²	43.9	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.7	169.5	171.7	69.5	0	0	0	109.2	L56 I57 W65 M173 L175	L44-L56 WeakPolarHBondContact O-CA 3.43Å; L44-I57 HydrophobicContact CB-CG2 3.68Å; L44-I57 HydrophobicContact CD2-CG2 4.23Å; L44-I57 HydrophobicContact CG-CG2 4.3Å; L44-I57 PolarHBondContact N-O 2.84Å; L44-I57 PolarHBondContact O-N 3.45Å; L44-W65 HydrophobicContact CD2-CH2 3.76Å; L44-W65 HydrophobicContact CD2-CZ2 4.07Å; L44-W65 HydrophobicContact CG-CH2 4.03Å; L44-M173 HydrophobicContact CD1-CB 4.48Å; L44-L175 HydrophobicContact CB-CD1 4.35Å; L44-L175 HydrophobicContact CD1-CB 4.24Å
45	V	98.1	Very high	95.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.5	175	167.2	0	0	0	0	109.5	F43 M54 Q55 L56 P79 I80 M173 A174	F43-V45 HydrophobicContact CD2-CG2 3.85Å; F43-V45 HydrophobicContact CE2-CG2 3.96Å; V45-M54 HydrophobicContact CG1-CB 3.86Å; V45-M54 HydrophobicContact CG1-CG 3.81Å; V45-M54 HydrophobicContact CG1-SD 3.54Å; V45-M54 VanDerWaalsContact CG1-SD 3.54Å; V45-Q55 CarbonylContact C-O 3.58Å; V45-Q55 WeakPolarHBondContact CA-O 3.37Å; V45-L56 HydrophobicContact CG2-CD1 3.7Å; V45-P79 HydrophobicContact CG2-CG 3.65Å; V45-I80 HydrophobicContact CB-CD1 4.45Å; V45-I80 HydrophobicContact CG1-CD1 4.07Å; V45-I80 HydrophobicContact CG2-CG1 4.49Å; V45-M173 CarbonylContact O-C 3.55Å; V45-M173 VanDerWaalsContact O-CA 3.22Å; V45-M173 WeakPolarHBondContact O-CA 3.4Å; V45-A174 PolarHBondContact N-O 3.15Å; V45-A174 PolarHBondContact O-N 3.04Å
46	Y	98.4	Very high	95.2	Very high	75 Å²	75	44.2 Å²	44.2	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.6	167.4	174.4	-107.5	0	0	0	110.1	D48 P49 M54 Q55 H172 M173	Y46-D48 HydrophobicContact CE1-CB 4.18Å; Y46-P49 WeakPolarHBondContact OH-CD 3.27Å; Y46-M54 CarbonylContact O-C 3.39Å; Y46-M54 VanDerWaalsContact O-CA 3.31Å; Y46-M54 WeakPolarHBondContact O-CA 3.27Å; Y46-Q55 PolarHBondContact N-O 3.33Å; Y46-Q55 PolarHBondContact O-N 2.83Å; Y46-H172 CarbonylContact C-O 3.03Å; Y46-H172 WeakPolarHBondContact CA-O 3.17Å; Y46-H172 WeakPolarHBondContact CD2-O 3.41Å; Y46-M173 HydrophobicContact CD2-CG 3.71Å; Y46-M173 HydrophobicContact CD2-SD 4.49Å
47	K	97.2	Very high	95.4	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.8	169.6	-166.8	-151.4	82.4	77.2	0	109	S51 M54 I72 F163 S168 K170 G171 H172	K47-S51 PolarHBondContact NZ-O 3.44Å; K47-M54 HydrophobicContact CB-CG 4.45Å; K47-I72 HydrophobicContact CB-CD1 3.91Å; K47-I72 HydrophobicContact CD-CB 4.31Å; K47-I72 HydrophobicContact CD-CD1 4.01Å; K47-I72 HydrophobicContact CD-CG2 3.62Å; K47-I72 HydrophobicContact CG-CB 4.3Å; K47-I72 HydrophobicContact CG-CD1 4.08Å; K47-I72 HydrophobicContact CG-CG2 4.07Å; K47-F163 HydrophobicContact CD-CE1 4.01Å; K47-F163 HydrophobicContact CD-CE2 4.42Å; K47-F163 HydrophobicContact CD-CZ 3.67Å; K47-S168 PolarHBondContact NZ-O 3.32Å; K47-K170 WeakPolarHBondContact CE-O 3.29Å; K47-K170 PolarHBondContact NZ-O 2.98Å; K47-G171 VanDerWaalsContact O-CA 3.31Å; K47-G171 WeakPolarHBondContact O-CA 3.11Å; K47-H172 HydrophobicContact CB-CB 4.5Å; K47-H172 PolarHBondContact N-O 3.43Å; K47-H172 PolarHBondContact O-N 3.21Å; K47-H172 VanDerWaalsContact O-N 3.17Å
48	D	91.3	Very high	95.8	Very high	53 Å²	53	36.9 Å²	36.9	28%	0.283	22%	0.222	S	C	.	.			trans	-72.1	141.3	179.1	-172.5	-93.1	0	0	0	112	Y46 S50 S51	Y46-D48 HydrophobicContact CE1-CB 4.18Å; D48-S50 PolarHBondContact O-N 3.39Å; D48-S50 WeakPolarHBondContact OD1-CA 3.36Å; D48-S50 VanDerWaalsContact OD1-CB 3.27Å; D48-S50 WeakPolarHBondContact OD1-CB 3.41Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-S50 PolarHBondContact OD1-OG 2.92Å; D48-S51 PolarHBondContact O-N 3.32Å
49	P	94.9	Very high	95.9	Very high	55 Å²	55	37 Å²	37	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.4	177.5	-21.1	28.7	0	0	0	114.6	Y46 S169	Y46-P49 WeakPolarHBondContact OH-CD 3.27Å; P49-S169 CarbonylContact O-C 3.52Å; P49-S169 WeakPolarHBondContact O-CA 3.32Å
50	S	95.2	Very high	95.7	Very high	112 Å²	112	35.9 Å²	35.9	78%	0.783	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.2	-177.1	74	0	0	0	0	113.9	D48	D48-S50 PolarHBondContact O-N 3.39Å; D48-S50 WeakPolarHBondContact OD1-CA 3.36Å; D48-S50 VanDerWaalsContact OD1-CB 3.27Å; D48-S50 WeakPolarHBondContact OD1-CB 3.41Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-S50 PolarHBondContact OD1-OG 2.92Å
51	S	94.8	Very high	95.3	Very high	42 Å²	42	37 Å²	37	29%	0.294	22%	0.222	S	C	.	.			trans	-142.6	158.3	-174.3	-174.3	0	0	0	0	112.6	K47 D48 L53	K47-S51 PolarHBondContact NZ-O 3.44Å; D48-S51 PolarHBondContact O-N 3.32Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 WeakPolarHBondContact OG-CB 3.22Å; S51-L53 PolarHBondContact OG-N 2.99Å
52	L	96	Very high	95	Very high	63 Å²	63	41.8 Å²	41.8	33%	0.33	25%	0.252	S	S	.	.	S	Bend	trans	-87.5	-8.1	165.9	-66.7	178.5	0	0	0	112.2	P71 I72 T73	L52-P71 HydrophobicContact CB-CB 3.85Å; L52-P71 CarbonylContact O-C 3.59Å; L52-P71 WeakPolarHBondContact O-CA 3.49Å; L52-I72 HydrophobicContact CD2-CG2 4.29Å; L52-I72 PolarHBondContact O-N 3.43Å; L52-T73 HydrophobicContact CD1-CG2 4.16Å; L52-T73 HydrophobicContact CD2-CG2 4.34Å
53	L	96.3	Very high	94.7	Very high	50 Å²	50	42.5 Å²	42.5	26%	0.262	26%	0.26	S	S	.	.			trans	-73.4	156	175.5	-60.4	178.7	0	0	0	111.2	S51 Q67 P71	S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 WeakPolarHBondContact OG-CB 3.22Å; S51-L53 PolarHBondContact OG-N 2.99Å; L53-Q67 HydrophobicContact CB-CG 4.46Å; L53-Q67 HydrophobicContact CD1-CG 4.44Å; L53-P71 HydrophobicContact CD2-CB 4.47Å
54	M	96.6	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.5	-177.7	-65.6	174.7	-63.9	0	0	110	V45 Y46 K47 Q67 V68 V70 I72 N78 I80	V45-M54 HydrophobicContact CG1-CB 3.86Å; V45-M54 HydrophobicContact CG1-CG 3.81Å; V45-M54 HydrophobicContact CG1-SD 3.54Å; V45-M54 VanDerWaalsContact CG1-SD 3.54Å; Y46-M54 CarbonylContact O-C 3.39Å; Y46-M54 VanDerWaalsContact O-CA 3.31Å; Y46-M54 WeakPolarHBondContact O-CA 3.27Å; K47-M54 HydrophobicContact CB-CG 4.45Å; M54-Q67 WeakPolarHBondContact O-CA 3.44Å; M54-V68 HydrophobicContact CB-CB 4.11Å; M54-V68 HydrophobicContact CB-CG2 3.97Å; M54-V68 HydrophobicContact CE-CB 4.1Å; M54-V68 HydrophobicContact CE-CG1 3.92Å; M54-V68 HydrophobicContact CE-CG2 4.35Å; M54-V68 PolarHBondContact O-N 3.45Å; M54-V70 WeakPolarHBondContact CE-O 3.35Å; M54-I72 HydrophobicContact CE-CB 4.43Å; M54-I72 HydrophobicContact CG-CB 3.94Å; M54-I72 HydrophobicContact CG-CD1 4.43Å; M54-I72 HydrophobicContact CG-CG1 4.41Å; M54-I72 HydrophobicContact SD-CB 3.69Å; M54-I72 HydrophobicContact SD-CD1 4.02Å; M54-I72 HydrophobicContact SD-CG1 3.71Å; M54-N78 HydrophobicContact CE-CB 4.29Å; M54-I80 HydrophobicContact SD-CD1 4.38Å
55	Q	97.7	Very high	94.5	Very high	66 Å²	66	51.1 Å²	51.1	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.9	160.1	-61.6	-62	-31.5	0	0	108.1	V45 Y46 W65 Q66	V45-Q55 CarbonylContact C-O 3.58Å; V45-Q55 WeakPolarHBondContact CA-O 3.37Å; Y46-Q55 PolarHBondContact N-O 3.33Å; Y46-Q55 PolarHBondContact O-N 2.83Å; Q55-W65 HydrophobicContact CB-CE3 3.63Å; Q55-W65 HydrophobicContact CB-CZ3 3.89Å; Q55-Q66 CarbonylContact C-O 3.43Å; Q55-Q66 WeakPolarHBondContact CA-O 3.24Å; Q55-Q66 PolarHBondContact OE1-O 3.37Å
56	L	98	Very high	94.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138	-175.5	171.2	68.4	0	0	0	109.1	A35 L36 F43 L44 V45 V58 W65 Q66 V68 P79	A35-L56 HydrophobicContact CB-CD2 4.45Å; L36-L56 HydrophobicContact CD2-CD2 3.8Å; L36-L56 HydrophobicContact CG-CD2 4.03Å; F43-L56 HydrophobicContact CB-CD1 3.83Å; F43-L56 HydrophobicContact CD2-CD1 4.13Å; F43-L56 HydrophobicContact CG-CD1 4.21Å; L44-L56 WeakPolarHBondContact O-CA 3.43Å; V45-L56 HydrophobicContact CG2-CD1 3.7Å; L56-V58 HydrophobicContact CD1-CG1 3.75Å; L56-V58 HydrophobicContact CD2-CG1 3.78Å; L56-V58 HydrophobicContact CG-CG1 3.71Å; L56-W65 CarbonylContact O-C 3.58Å; L56-W65 WeakPolarHBondContact O-CA 3.19Å; L56-Q66 HydrophobicContact CB-CG 4.3Å; L56-Q66 PolarHBondContact N-O 2.94Å; L56-Q66 PolarHBondContact O-N 2.94Å; L56-V68 HydrophobicContact CB-CG2 3.5Å; L56-V68 VanDerWaalsContact CB-CG2 3.5Å; L56-V68 HydrophobicContact CD2-CG2 3.99Å; L56-V68 HydrophobicContact CG-CG2 4.33Å; L56-P79 HydrophobicContact CD1-CG 4.2Å; L56-P79 HydrophobicContact CD2-CG 4.48Å
57	I	97.4	Very high	94.4	Very high	17 Å²	17	56 Å²	56	9%	0.087	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.4	164.6	-173	169.7	0	0	0	107.5	W42 F43 L44 P63 W65	W42-I57 HydrophobicContact CH2-CG1 4.28Å; W42-I57 HydrophobicContact CZ3-CG2 4.21Å; F43-I57 CarbonylContact C-O 3.56Å; F43-I57 VanDerWaalsContact CA-O 3.29Å; F43-I57 WeakPolarHBondContact CA-O 3.49Å; L44-I57 HydrophobicContact CB-CG2 3.68Å; L44-I57 HydrophobicContact CD2-CG2 4.23Å; L44-I57 HydrophobicContact CG-CG2 4.3Å; L44-I57 PolarHBondContact N-O 2.84Å; L44-I57 PolarHBondContact O-N 3.45Å; I57-P63 HydrophobicContact CD1-CB 3.63Å; I57-P63 HydrophobicContact CG1-CB 3.58Å; I57-W65 HydrophobicContact CB-CD2 4.03Å; I57-W65 HydrophobicContact CB-CE3 4.02Å; I57-W65 HydrophobicContact CB-CZ3 4.33Å; I57-W65 HydrophobicContact CG2-CD2 4.25Å; I57-W65 HydrophobicContact CG2-CE3 4.13Å; I57-W65 HydrophobicContact CG2-CH2 3.86Å; I57-W65 HydrophobicContact CG2-CZ2 3.93Å; I57-W65 HydrophobicContact CG2-CZ3 3.95Å
58	V	95.3	Very high	94.3	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	160	-175.4	-61.6	0	0	0	0	110.5	A35 L36 F43 L56 A60	A35-V58 HydrophobicContact CB-CG1 3.88Å; L36-V58 HydrophobicContact CD1-CG1 4.22Å; L36-V58 HydrophobicContact CD1-CG2 4.03Å; F43-V58 HydrophobicContact CB-CG1 3.95Å; L56-V58 HydrophobicContact CD1-CG1 3.75Å; L56-V58 HydrophobicContact CD2-CG1 3.78Å; L56-V58 HydrophobicContact CG-CG1 3.71Å; V58-A60 PolarHBondContact O-N 2.9Å; V58-A60 VanDerWaalsContact O-N 3.14Å
59	A	92.8	Very high	94.4	Very high	33 Å²	33	60 Å²	60	27%	0.273	35%	0.352	S	S	.	.	S	Bend	trans	-51.8	117.8	168.5	0	0	0	0	0	111.2	D41 W42	D41-A59 HydrophobicContact CB-CB 3.91Å; W42-A59 HydrophobicContact CD2-CB 4.23Å; W42-A59 HydrophobicContact CG-CB 4.08Å; W42-A59 PolarHBondContact O-N 2.92Å
60	A	89.4	Confident	94.4	Very high	53 Å²	53	59 Å²	59	44%	0.438	35%	0.345	S	S	.	.	S	Bend	trans	-156.3	166.3	176.4	0	0	0	0	0	108.7	V58 T62 P63	V58-A60 PolarHBondContact O-N 2.9Å; V58-A60 VanDerWaalsContact O-N 3.14Å; A60-T62 VanDerWaalsContact C-N 3.25Å; A60-T62 PolarHBondContact O-N 2.7Å; A60-P63 WeakPolarHBondContact O-CD 3.28Å; A60-P63 WeakPolarHBondContact O-CG 3.49Å
61	A	85.7	Confident	94.4	Very high	51 Å²	51	55.8 Å²	55.8	42%	0.421	32%	0.321	S	S	.	.	S	Bend	trans	-59.9	-38.9	173.5	0	0	0	0	0	111.9	L16	L16-A61 HydrophobicContact CD1-CB 4Å
62	T	88.4	Confident	94.5	Very high	115 Å²	115	53.9 Å²	53.9	71%	0.706	31%	0.308	S	S	*	.	S	Bend	trans	-129.1	86	173.6	54.3	0	0	0	0	109.3	A60 T64	A60-T62 VanDerWaalsContact C-N 3.25Å; A60-T62 PolarHBondContact O-N 2.7Å; T62-T64 PolarHBondContact O-N 2.82Å
63	P	90.3	Very high	94.5	Very high	40 Å²	40	53.9 Å²	53.9	26%	0.26	31%	0.311	S	S	.	.			trans	-62.3	124.7	-178.3	-23.9	35.8	0	0	0	111.3	W42 I57 A60	W42-P63 HydrophobicContact CH2-CB 4.12Å; W42-P63 HydrophobicContact CH2-CG 4.2Å; W42-P63 HydrophobicContact CZ2-CB 4.43Å; W42-P63 HydrophobicContact CZ2-CG 4.02Å; I57-P63 HydrophobicContact CD1-CB 3.63Å; I57-P63 HydrophobicContact CG1-CB 3.58Å; A60-P63 WeakPolarHBondContact O-CD 3.28Å; A60-P63 WeakPolarHBondContact O-CG 3.49Å
64	T	94.9	Very high	94.4	Very high	96 Å²	96	52.2 Å²	52.2	59%	0.589	31%	0.306	S	S	*	.			trans	-121.7	147.6	174.9	54.9	0	0	0	0	110.2	T62	T62-T64 PolarHBondContact O-N 2.82Å
65	W	96.8	Very high	94.1	Very high	133 Å²	133	55 Å²	55	50%	0.504	32%	0.322	S	S	.	.			trans	-70	135.3	171.3	-73.2	99.7	0	0	0	110	L44 Q55 L56 I57	L44-W65 HydrophobicContact CD2-CH2 3.76Å; L44-W65 HydrophobicContact CD2-CZ2 4.07Å; L44-W65 HydrophobicContact CG-CH2 4.03Å; Q55-W65 HydrophobicContact CB-CE3 3.63Å; Q55-W65 HydrophobicContact CB-CZ3 3.89Å; L56-W65 CarbonylContact O-C 3.58Å; L56-W65 WeakPolarHBondContact O-CA 3.19Å; I57-W65 HydrophobicContact CB-CD2 4.03Å; I57-W65 HydrophobicContact CB-CE3 4.02Å; I57-W65 HydrophobicContact CB-CZ3 4.33Å; I57-W65 HydrophobicContact CG2-CD2 4.25Å; I57-W65 HydrophobicContact CG2-CE3 4.13Å; I57-W65 HydrophobicContact CG2-CH2 3.86Å; I57-W65 HydrophobicContact CG2-CZ2 3.93Å; I57-W65 HydrophobicContact CG2-CZ3 3.95Å
66	Q	96.3	Very high	93.6	Very high	71 Å²	71	57.1 Å²	57.1	33%	0.332	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.8	174	67.3	-172.4	-70.3	0	0	110.2	Q55 L56	Q55-Q66 CarbonylContact C-O 3.43Å; Q55-Q66 WeakPolarHBondContact CA-O 3.24Å; Q55-Q66 PolarHBondContact OE1-O 3.37Å; L56-Q66 HydrophobicContact CB-CG 4.3Å; L56-Q66 PolarHBondContact N-O 2.94Å; L56-Q66 PolarHBondContact O-N 2.94Å
67	Q	96.6	Very high	93.2	Very high	110 Å²	110	58.8 Å²	58.8	51%	0.514	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.9	175.6	-173	172.4	-87	0	0	110.4	L53 M54	L53-Q67 HydrophobicContact CB-CG 4.46Å; L53-Q67 HydrophobicContact CD1-CG 4.44Å; M54-Q67 WeakPolarHBondContact O-CA 3.44Å
68	V	96.2	Very high	93.1	Very high	10 Å²	10	58 Å²	58	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.8	165.9	-171.7	0	0	0	0	107.9	M54 L56 V70	M54-V68 HydrophobicContact CB-CB 4.11Å; M54-V68 HydrophobicContact CB-CG2 3.97Å; M54-V68 HydrophobicContact CE-CB 4.1Å; M54-V68 HydrophobicContact CE-CG1 3.92Å; M54-V68 HydrophobicContact CE-CG2 4.35Å; M54-V68 PolarHBondContact O-N 3.45Å; L56-V68 HydrophobicContact CB-CG2 3.5Å; L56-V68 VanDerWaalsContact CB-CG2 3.5Å; L56-V68 HydrophobicContact CD2-CG2 3.99Å; L56-V68 HydrophobicContact CG-CG2 4.33Å; V68-V70 HydrophobicContact CG1-CB 4.36Å; V68-V70 PolarHBondContact O-N 2.95Å
69	T	92.9	Very high	93.2	Very high	127 Å²	127	57.3 Å²	57.3	78%	0.779	35%	0.35	S	S	*	.	S	Bend	trans	-68.3	-22.8	-178.2	51.3	0	0	0	0	112.9
70	V	94.8	Very high	93.4	Very high	35 Å²	35	55.9 Å²	55.9	21%	0.212	34%	0.337	C	S	.	.	S	Bend	trans	-95.5	133.1	-179.6	-177.2	0	0	0	0	109.5	M54 V68 T76 N78	M54-V70 WeakPolarHBondContact CE-O 3.35Å; V68-V70 HydrophobicContact CG1-CB 4.36Å; V68-V70 PolarHBondContact O-N 2.95Å; V70-T76 WeakPolarHBondContact CG2-O 3.39Å; V70-N78 HydrophobicContact CG1-CB 4.45Å
71	P	96	Very high	93.7	Very high	44 Å²	44	55.4 Å²	55.4	29%	0.286	32%	0.324	S	S	.	.			trans	-64.8	158.5	176.5	28.2	-35.5	0	0	0	111.4	L52 L53 T73 G74	L52-P71 HydrophobicContact CB-CB 3.85Å; L52-P71 CarbonylContact O-C 3.59Å; L52-P71 WeakPolarHBondContact O-CA 3.49Å; L53-P71 HydrophobicContact CD2-CB 4.47Å; P71-T73 PolarHBondContact O-N 3.45Å; P71-G74 PolarHBondContact O-N 3.38Å
72	I	97	Very high	94.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.3	176.5	-165.7	159.3	0	0	0	113.1	K47 L52 M54 G74 N78 I80 Y161 F163	K47-I72 HydrophobicContact CB-CD1 3.91Å; K47-I72 HydrophobicContact CD-CB 4.31Å; K47-I72 HydrophobicContact CD-CD1 4.01Å; K47-I72 HydrophobicContact CD-CG2 3.62Å; K47-I72 HydrophobicContact CG-CB 4.3Å; K47-I72 HydrophobicContact CG-CD1 4.08Å; K47-I72 HydrophobicContact CG-CG2 4.07Å; L52-I72 HydrophobicContact CD2-CG2 4.29Å; L52-I72 PolarHBondContact O-N 3.43Å; M54-I72 HydrophobicContact CE-CB 4.43Å; M54-I72 HydrophobicContact CG-CB 3.94Å; M54-I72 HydrophobicContact CG-CD1 4.43Å; M54-I72 HydrophobicContact CG-CG1 4.41Å; M54-I72 HydrophobicContact SD-CB 3.69Å; M54-I72 HydrophobicContact SD-CD1 4.02Å; M54-I72 HydrophobicContact SD-CG1 3.71Å; I72-G74 VanDerWaalsContact C-N 3.34Å; I72-N78 PolarHBondContact O-ND2 3.33Å; I72-I80 HydrophobicContact CD1-CD1 4.25Å; I72-Y161 WeakPolarHBondContact O-CE1 3.44Å; I72-Y161 PolarHBondContact O-OH 3.2Å; I72-Y161 VanDerWaalsContact O-OH 3.1Å; I72-F163 HydrophobicContact CD1-CD2 3.83Å; I72-F163 HydrophobicContact CD1-CE2 3.57Å; I72-F163 HydrophobicContact CD1-CZ 4.23Å; I72-F163 HydrophobicContact CG1-CD2 3.86Å; I72-F163 HydrophobicContact CG1-CE2 4.11Å; I72-F163 HydrophobicContact CG1-CG 4.34Å; I72-F163 HydrophobicContact CG2-CD1 3.81Å; I72-F163 HydrophobicContact CG2-CD2 4.13Å; I72-F163 HydrophobicContact CG2-CE1 3.97Å; I72-F163 HydrophobicContact CG2-CE2 4.29Å; I72-F163 HydrophobicContact CG2-CG 3.89Å; I72-F163 HydrophobicContact CG2-CZ 4.22Å
73	T	95.9	Very high	94.3	Very high	63 Å²	63	49.5 Å²	49.5	39%	0.387	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.2	177.2	58.7	0	0	0	0	112.9	L52 P71 F163	L52-T73 HydrophobicContact CD1-CG2 4.16Å; L52-T73 HydrophobicContact CD2-CG2 4.34Å; P71-T73 PolarHBondContact O-N 3.45Å; T73-F163 HydrophobicContact CG2-CB 4.19Å; T73-F163 HydrophobicContact CG2-CD1 4.35Å
74	G	94.4	Very high	94.5	Very high	15 Å²	15	47.6 Å²	47.6	16%	0.155	27%	0.269	C	S	.	.			trans	-82.8	158.9	-176.7	0	0	0	0	0	113.4	P71 I72 N78	P71-G74 PolarHBondContact O-N 3.38Å; I72-G74 VanDerWaalsContact C-N 3.34Å; G74-N78 VanDerWaalsContact O-CB 3.28Å; G74-N78 WeakPolarHBondContact O-CB 3.22Å; G74-N78 PolarHBondContact O-ND2 2.85Å
75	T	90.4	Very high	94.3	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.35	25%	0.252	S	S	.	.	S	Bend	trans	-123.3	23.9	-171.6	56.9	0	0	0	0	113.1	Y81 Y161	T75-Y81 VanDerWaalsContact C-CE1 3.45Å; T75-Y81 HydrophobicContact CG2-CD2 3.74Å; T75-Y81 HydrophobicContact CG2-CE2 3.71Å; T75-Y81 HydrophobicContact CG2-CG 4.34Å; T75-Y81 WeakPolarHBondContact O-CD1 3.32Å; T75-Y81 WeakPolarHBondContact O-CE1 3.45Å; T75-Y81 VanDerWaalsContact O-CZ 3.28Å; T75-Y161 HydrophobicContact CG2-CD1 3.94Å; T75-Y161 HydrophobicContact CG2-CG 4.23Å
76	T	86.1	Confident	93.8	Very high	111 Å²	111	39.9 Å²	39.9	68%	0.681	24%	0.244	S	C	*	.	S	Bend	trans	-153.2	120.4	173.4	-58	0	0	0	0	107.3	V70 N78	V70-T76 WeakPolarHBondContact CG2-O 3.39Å; T76-N78 PolarHBondContact O-N 3.01Å
77	G	90.3	Very high	93.5	Very high	36 Å²	36	36.5 Å²	36.5	37%	0.371	23%	0.228	S	C	.	.	S	Bend	trans	78.2	5.6	-174.1	0	0	0	0	0	113.9	D82	G77-D82 VanDerWaalsContact CA-OD2 3.3Å; G77-D82 WeakPolarHBondContact CA-OD2 3.42Å; G77-D82 PolarHBondContact N-OD1 3.24Å; G77-D82 PolarHBondContact N-OD2 3.17Å
78	N	94.6	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.204	C	C	.	.			trans	-89.2	111.8	168.2	168	-0.4	0	0	0	107.4	M54 V70 I72 G74 T76 I80 Y81 D82 Y161	M54-N78 HydrophobicContact CE-CB 4.29Å; V70-N78 HydrophobicContact CG1-CB 4.45Å; I72-N78 PolarHBondContact O-ND2 3.33Å; G74-N78 VanDerWaalsContact O-CB 3.28Å; G74-N78 WeakPolarHBondContact O-CB 3.22Å; G74-N78 PolarHBondContact O-ND2 2.85Å; T76-N78 PolarHBondContact O-N 3.01Å; N78-I80 PolarHBondContact O-N 2.92Å; N78-I80 VanDerWaalsContact O-N 3.1Å; N78-I80 WeakPolarHBondContact OD1-CB 3.44Å; N78-I80 PolarHBondContact OD1-N 3.5Å; N78-Y81 CarbonylContact O-C 3.43Å; N78-Y81 WeakPolarHBondContact O-CA 3.44Å; N78-Y81 WeakPolarHBondContact O-CB 3.49Å; N78-Y81 PolarHBondContact O-N 3.31Å; N78-Y81 PolarHBondContact OD1-N 2.65Å; N78-D82 VanDerWaalsContact O-CG 3.24Å; N78-D82 PolarHBondContact O-N 3.15Å; N78-Y161 VanDerWaalsContact ND2-CZ 3.34Å; N78-Y161 PolarHBondContact ND2-OH 3Å
79	P	96.7	Very high	92.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.013	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-28.8	-173.9	23.9	-35.6	0	0	0	113.9	I34 A35 F43 V45 L56 T83	I34-P79 WeakPolarHBondContact O-CA 3.36Å; I34-P79 WeakPolarHBondContact O-CB 3.28Å; A35-P79 HydrophobicContact CB-CB 3.89Å; F43-P79 HydrophobicContact CD2-CB 4.39Å; F43-P79 HydrophobicContact CE1-CB 4.17Å; F43-P79 HydrophobicContact CE2-CB 4.05Å; F43-P79 HydrophobicContact CZ-CB 3.93Å; F43-P79 WeakPolarHBondContact CZ-O 3.11Å; V45-P79 HydrophobicContact CG2-CG 3.65Å; L56-P79 HydrophobicContact CD1-CG 4.2Å; L56-P79 HydrophobicContact CD2-CG 4.48Å; P79-T83 WeakPolarHBondContact O-CB 3.3Å; P79-T83 PolarHBondContact O-N 2.73Å; P79-T83 PolarHBondContact O-OG1 2.76Å
80	I	97.2	Very high	91.5	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-69.6	-46.8	174.6	-55.4	174	0	0	0	109.8	V45 M54 I72 N78 T84 F154 Y161 A174	V45-I80 HydrophobicContact CB-CD1 4.45Å; V45-I80 HydrophobicContact CG1-CD1 4.07Å; V45-I80 HydrophobicContact CG2-CG1 4.49Å; M54-I80 HydrophobicContact SD-CD1 4.38Å; I72-I80 HydrophobicContact CD1-CD1 4.25Å; N78-I80 PolarHBondContact O-N 2.92Å; N78-I80 VanDerWaalsContact O-N 3.1Å; N78-I80 WeakPolarHBondContact OD1-CB 3.44Å; N78-I80 PolarHBondContact OD1-N 3.5Å; I80-T84 WeakPolarHBondContact O-CB 3.18Å; I80-T84 VanDerWaalsContact O-CG2 3.25Å; I80-T84 WeakPolarHBondContact O-CG2 3.34Å; I80-T84 PolarHBondContact O-N 3.26Å; I80-T84 VanDerWaalsContact O-N 3.17Å; I80-T84 PolarHBondContact O-OG1 2.8Å; I80-F154 HydrophobicContact CG2-CE1 3.83Å; I80-F154 HydrophobicContact CG2-CZ 3.79Å; I80-Y161 HydrophobicContact CG2-CE2 4.14Å; I80-A174 HydrophobicContact CD1-CB 3.76Å; I80-A174 HydrophobicContact CG1-CB 4.13Å
81	Y	95.5	Very high	89.4	Confident	43 Å²	43	29.9 Å²	29.9	17%	0.169	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-50.8	175.9	170.9	-91.7	0	0	0	111.2	T75 N78 T83 T84 A85 V88 D89 Y161	T75-Y81 VanDerWaalsContact C-CE1 3.45Å; T75-Y81 HydrophobicContact CG2-CD2 3.74Å; T75-Y81 HydrophobicContact CG2-CE2 3.71Å; T75-Y81 HydrophobicContact CG2-CG 4.34Å; T75-Y81 WeakPolarHBondContact O-CD1 3.32Å; T75-Y81 WeakPolarHBondContact O-CE1 3.45Å; T75-Y81 VanDerWaalsContact O-CZ 3.28Å; N78-Y81 CarbonylContact O-C 3.43Å; N78-Y81 WeakPolarHBondContact O-CA 3.44Å; N78-Y81 WeakPolarHBondContact O-CB 3.49Å; N78-Y81 PolarHBondContact O-N 3.31Å; N78-Y81 PolarHBondContact OD1-N 2.65Å; Y81-T83 PolarHBondContact O-N 3.23Å; Y81-T83 VanDerWaalsContact O-N 3.13Å; Y81-T84 CarbonylContact O-C 3.58Å; Y81-T84 PolarHBondContact O-N 3.48Å; Y81-A85 HydrophobicContact CE1-CB 4.09Å; Y81-A85 HydrophobicContact CE2-CB 4.43Å; Y81-A85 PolarHBondContact O-N 3.45Å; Y81-V88 HydrophobicContact CD2-CG2 4.27Å; Y81-V88 HydrophobicContact CE2-CG2 4.23Å; Y81-D89 WeakPolarHBondContact CE2-OD2 3.45Å; Y81-D89 PolarHBondContact OH-OD2 3.14Å; Y81-Y161 VanDerWaalsContact CD2-CB 3.49Å; Y81-Y161 HydrophobicContact CD2-CD1 4.31Å; Y81-Y161 AromaticContact CD2-CD2 3.81Å; Y81-Y161 HydrophobicContact CD2-CD2 3.81Å; Y81-Y161 AromaticContact CD2-CG 3.62Å; Y81-Y161 HydrophobicContact CD2-CG 3.62Å; Y81-Y161 HydrophobicContact CE2-CG 4.48Å; Y81-Y161 HydrophobicContact CG-CD2 4.43Å; Y81-Y161 HydrophobicContact CG-CG 4.43Å
82	D	94	Very high	86.8	Confident	34 Å²	34	31.4 Å²	31.4	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-57	-37.5	-174.2	-62.7	-20.9	0	0	0	110.6	I34 G77 N78	I34-D82 HydrophobicContact CB-CB 4.06Å; I34-D82 HydrophobicContact CG2-CB 3.79Å; G77-D82 VanDerWaalsContact CA-OD2 3.3Å; G77-D82 WeakPolarHBondContact CA-OD2 3.42Å; G77-D82 PolarHBondContact N-OD1 3.24Å; G77-D82 PolarHBondContact N-OD2 3.17Å; N78-D82 VanDerWaalsContact O-CG 3.24Å; N78-D82 PolarHBondContact O-N 3.15Å
83	T	94.4	Very high	84.1	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.043	25%	0.248	C	C	.	.	H	α-helix	trans	-74.6	-28.3	174.9	-52.6	0	0	0	0	113.7	I34 F43 P79 Y81 A145 I147	I34-T83 PolarHBondContact N-OG1 2.91Å; I34-T83 PolarHBondContact O-OG1 3.33Å; F43-T83 WeakPolarHBondContact CE1-OG1 3.33Å; P79-T83 WeakPolarHBondContact O-CB 3.3Å; P79-T83 PolarHBondContact O-N 2.73Å; P79-T83 PolarHBondContact O-OG1 2.76Å; Y81-T83 PolarHBondContact O-N 3.23Å; Y81-T83 VanDerWaalsContact O-N 3.13Å; T83-A145 HydrophobicContact CG2-CB 3.73Å; T83-I147 HydrophobicContact CG2-CD1 3.8Å; T83-I147 HydrophobicContact CG2-CG1 4.45Å
84	T	93.1	Very high	81.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-108.7	0.9	-171.5	63.7	0	0	0	0	115.1	I80 Y81 A86 F87 V88 L131 I147 L155	I80-T84 WeakPolarHBondContact O-CB 3.18Å; I80-T84 VanDerWaalsContact O-CG2 3.25Å; I80-T84 WeakPolarHBondContact O-CG2 3.34Å; I80-T84 PolarHBondContact O-N 3.26Å; I80-T84 VanDerWaalsContact O-N 3.17Å; I80-T84 PolarHBondContact O-OG1 2.8Å; Y81-T84 CarbonylContact O-C 3.58Å; Y81-T84 PolarHBondContact O-N 3.48Å; T84-A86 VanDerWaalsContact C-N 3.26Å; T84-A86 PolarHBondContact O-N 3.06Å; T84-F87 WeakPolarHBondContact O-CA 3.29Å; T84-F87 WeakPolarHBondContact O-CB 3.41Å; T84-F87 PolarHBondContact O-N 3.26Å; T84-V88 WeakPolarHBondContact O-CG2 3.43Å; T84-V88 PolarHBondContact O-N 3.23Å; T84-L131 HydrophobicContact CG2-CD2 3.59Å; T84-I147 HydrophobicContact CG2-CD1 3.22Å; T84-L155 HydrophobicContact CG2-CD1 4.34Å; T84-L155 HydrophobicContact CG2-CD2 4.15Å
85	A	90.9	Very high	78.5	Confident	27 Å²	27	42.4 Å²	42.4	22%	0.223	29%	0.289	C	S	.	.	H	α-helix	trans	-51.7	-45.3	-179	0	0	0	0	0	111.8	Y81 F87 V88 D89	Y81-A85 HydrophobicContact CE1-CB 4.09Å; Y81-A85 HydrophobicContact CE2-CB 4.43Å; Y81-A85 PolarHBondContact O-N 3.45Å; A85-F87 PolarHBondContact O-N 3.43Å; A85-V88 PolarHBondContact O-N 3.32Å; A85-D89 WeakPolarHBondContact CA-OD2 3.33Å; A85-D89 WeakPolarHBondContact O-CB 3.13Å; A85-D89 PolarHBondContact O-N 3.37Å
86	A	87.1	Confident	75.9	Confident	41 Å²	41	43.5 Å²	43.5	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-2.2	175.9	0	0	0	0	0	114.9	T84 V90 T107 I133	T84-A86 VanDerWaalsContact C-N 3.26Å; T84-A86 PolarHBondContact O-N 3.06Å; A86-V90 VanDerWaalsContact C-CG2 3.48Å; A86-V90 WeakPolarHBondContact O-CG2 3.32Å; A86-T107 HydrophobicContact CB-CG2 4.49Å; A86-I133 HydrophobicContact CB-CD1 4.16Å
87	F	90.2	Very high	73.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-112.8	-45.9	171.6	173.1	-101.5	0	0	0	112	T84 A85 T109 A111 L131 I133 L155 R157 A158 Y199 Y200	T84-F87 WeakPolarHBondContact O-CA 3.29Å; T84-F87 WeakPolarHBondContact O-CB 3.41Å; T84-F87 PolarHBondContact O-N 3.26Å; A85-F87 PolarHBondContact O-N 3.43Å; F87-T109 HydrophobicContact CD2-CG2 4.26Å; F87-A111 HydrophobicContact CE1-CB 4.44Å; F87-A111 HydrophobicContact CE2-CB 4.03Å; F87-A111 HydrophobicContact CZ-CB 3.61Å; F87-L131 HydrophobicContact CB-CD2 3.98Å; F87-L131 HydrophobicContact CD1-CD1 4.1Å; F87-L131 HydrophobicContact CD1-CD2 3.83Å; F87-L131 HydrophobicContact CD2-CD1 3.83Å; F87-L131 HydrophobicContact CE1-CD1 4.15Å; F87-L131 HydrophobicContact CE1-CD2 4.45Å; F87-L131 HydrophobicContact CE2-CD1 3.86Å; F87-L131 HydrophobicContact CG-CD1 3.93Å; F87-L131 HydrophobicContact CG-CD2 3.91Å; F87-L131 HydrophobicContact CZ-CD1 4.03Å; F87-I133 HydrophobicContact CB-CD1 3.57Å; F87-I133 HydrophobicContact CB-CG1 4.47Å; F87-L155 HydrophobicContact CD1-CB 4.42Å; F87-L155 HydrophobicContact CE1-CB 3.99Å; F87-L155 WeakPolarHBondContact CE1-O 3.45Å; F87-R157 HydrophobicContact CD2-CB 4.37Å; F87-R157 HydrophobicContact CD2-CG 4.2Å; F87-R157 HydrophobicContact CE1-CB 4.13Å; F87-R157 HydrophobicContact CE2-CB 3.77Å; F87-R157 HydrophobicContact CE2-CG 3.98Å; F87-R157 HydrophobicContact CZ-CB 3.64Å; F87-R157 HydrophobicContact CZ-CG 4.34Å; F87-R157 WeakPolarHBondContact O-CG 3.24Å; F87-A158 PolarHBondContact O-N 2.74Å; F87-Y199 HydrophobicContact CZ-CE2 4.4Å; F87-Y200 AromaticContact CE2-CD1 3.58Å; F87-Y200 HydrophobicContact CE2-CD1 3.58Å; F87-Y200 HydrophobicContact CE2-CE1 4.14Å; F87-Y200 HydrophobicContact CE2-CG 4.22Å; F87-Y200 HydrophobicContact CZ-CD1 4.36Å
88	V	91.2	Very high	71.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-80	-32.5	-174.5	-61	0	0	0	0	113.2	Y81 T84 A85 L155 A158 M159 G160 Y161	Y81-V88 HydrophobicContact CD2-CG2 4.27Å; Y81-V88 HydrophobicContact CE2-CG2 4.23Å; T84-V88 WeakPolarHBondContact O-CG2 3.43Å; T84-V88 PolarHBondContact O-N 3.23Å; A85-V88 PolarHBondContact O-N 3.32Å; V88-L155 HydrophobicContact CG1-CD2 3.85Å; V88-A158 CarbonylContact O-C 3.51Å; V88-A158 VanDerWaalsContact O-CA 3.31Å; V88-A158 WeakPolarHBondContact O-CA 3.49Å; V88-A158 PolarHBondContact O-N 3.23Å; V88-M159 PolarHBondContact O-N 3.21Å; V88-G160 WeakPolarHBondContact O-CA 3.35Å; V88-G160 PolarHBondContact O-N 2.99Å; V88-Y161 HydrophobicContact CG1-CD2 4.48Å; V88-Y161 HydrophobicContact CG2-CD2 4.3Å
89	D	85.6	Confident	68.9	Low	62 Å²	62	52.3 Å²	52.3	33%	0.332	35%	0.353	S	S	.	.	S	Bend	trans	-99.6	-3.5	-175.8	-54.5	-42.9	0	0	0	113.4	Y81 A85 P91	Y81-D89 WeakPolarHBondContact CE2-OD2 3.45Å; Y81-D89 PolarHBondContact OH-OD2 3.14Å; A85-D89 WeakPolarHBondContact CA-OD2 3.33Å; A85-D89 WeakPolarHBondContact O-CB 3.13Å; A85-D89 PolarHBondContact O-N 3.37Å; D89-P91 WeakPolarHBondContact O-CD 3.33Å
90	V	67	Low	66.1	Low	14 Å²	14	57.9 Å²	57.9	9%	0.085	39%	0.387	C	S	.	.			trans	-45.5	119.8	179.8	-178.8	0	0	0	0	108.5	A86 S92 T104 A158	A86-V90 VanDerWaalsContact C-CG2 3.48Å; A86-V90 WeakPolarHBondContact O-CG2 3.32Å; V90-S92 PolarHBondContact O-N 2.82Å; V90-T104 HydrophobicContact CG1-CG2 3.82Å; V90-A158 WeakPolarHBondContact O-CB 3.31Å
91	P	50.6	Low	63.2	Low	66 Å²	66	64.8 Å²	64.8	43%	0.429	42%	0.424	S	S	.	.			trans	-56.8	121.6	172.6	-19.9	30.3	0	0	0	106.6	D89 A93	D89-P91 WeakPolarHBondContact O-CD 3.33Å; P91-A93 PolarHBondContact O-N 3.17Å; P91-A93 VanDerWaalsContact O-N 3.11Å
92	S	40.5	Very low	60.6	Low	76 Å²	76	68.6 Å²	68.6	53%	0.531	45%	0.446	S	S	.	.			trans	-40.5	126.5	153.3	-64.4	0	0	0	0	105.6	V90 S94	V90-S92 PolarHBondContact O-N 2.82Å; S92-S94 PolarHBondContact O-N 3.31Å
93	A	40.4	Very low	58.1	Low	109 Å²	109	70.4 Å²	70.4	90%	0.901	46%	0.459	S	S	*	.	S	Bend	trans	-61.9	46.8	-160.5	0	0	0	0	0	116.2	P91	P91-A93 PolarHBondContact O-N 3.17Å; P91-A93 VanDerWaalsContact O-N 3.11Å
94	S	35.7	Very low	55.9	Low	83 Å²	83	72.9 Å²	72.9	58%	0.58	47%	0.474	S	S	*	.			trans	-156.7	114.3	-170.9	57.6	0	0	0	0	106.1	S92	S92-S94 PolarHBondContact O-N 3.31Å
95	S	36.4	Very low	53.9	Low	119 Å²	119	77.3 Å²	77.3	83%	0.832	50%	0.501	S	S	*	.	S	Bend	trans	125.6	46.7	163.5	-49.8	0	0	0	0	115.4
96	S	37.5	Very low	53.1	Low	80 Å²	80	78.2 Å²	78.2	56%	0.559	51%	0.506	S	S	*	.			trans	-170.6	111.3	140.8	43.6	0	0	0	0	110.1	N98 A99	S96-N98 PolarHBondContact O-N 3.45Å; S96-A99 VanDerWaalsContact OG-CB 3.31Å; S96-A99 WeakPolarHBondContact OG-CB 3.3Å
97	S	41.6	Very low	53	Low	139 Å²	139	77.3 Å²	77.3	97%	0.972	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	18.1	168.8	43.6	0	0	0	0	113.4
98	N	41.5	Very low	53	Low	137 Å²	137	77.3 Å²	77.3	73%	0.733	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	15.3	-178	-150.1	20	0	0	0	114.4	S96 T100	S96-N98 PolarHBondContact O-N 3.45Å; N98-T100 VanDerWaalsContact C-N 3.29Å; N98-T100 PolarHBondContact O-N 2.95Å; N98-T100 VanDerWaalsContact O-N 3.15Å
99	A	39.4	Very low	53.1	Low	57 Å²	57	77.4 Å²	77.4	47%	0.471	50%	0.497	S	S	.	.			trans	-85.4	70.8	171.2	0	0	0	0	0	110.3	S96 N101	S96-A99 VanDerWaalsContact OG-CB 3.31Å; S96-A99 WeakPolarHBondContact OG-CB 3.3Å; A99-N101 PolarHBondContact O-N 3.14Å; A99-N101 VanDerWaalsContact O-N 3.15Å
100	T	37.8	Very low	53.6	Low	118 Å²	118	74.6 Å²	74.6	72%	0.724	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	10.9	175.1	52.3	0	0	0	0	113.9	N98	N98-T100 VanDerWaalsContact C-N 3.29Å; N98-T100 PolarHBondContact O-N 2.95Å; N98-T100 VanDerWaalsContact O-N 3.15Å
101	N	37.7	Very low	55	Low	149 Å²	149	74 Å²	74	80%	0.797	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	11.9	-175.8	-97.7	-12.4	0	0	0	117	A99	A99-N101 PolarHBondContact O-N 3.14Å; A99-N101 VanDerWaalsContact O-N 3.15Å
102	L	40.2	Very low	57.2	Low	122 Å²	122	71 Å²	71	64%	0.639	46%	0.458	S	S	*	.			trans	-115.8	81.8	163.4	-149.8	79.4	0	0	0	107.8	T104	L102-T104 PolarHBondContact O-N 2.88Å
103	T	41.7	Very low	59.8	Low	72 Å²	72	67.4 Å²	67.4	44%	0.442	43%	0.433	S	S	.	.			trans	-64.7	79.8	177.4	48	0	0	0	0	109.7	T105 S106	T103-T105 PolarHBondContact O-N 2.82Å; T103-S106 VanDerWaalsContact CB-OG 3.24Å; T103-S106 WeakPolarHBondContact CB-OG 3.28Å; T103-S106 PolarHBondContact O-N 3.49Å; T103-S106 WeakPolarHBondContact OG1-CB 3.45Å; T103-S106 PolarHBondContact OG1-OG 3.07Å
104	T	48	Very low	62.4	Low	59 Å²	59	63.4 Å²	63.4	36%	0.362	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-15.6	166.4	57.5	0	0	0	0	111.8	V90 L102	V90-T104 HydrophobicContact CG1-CG2 3.82Å; L102-T104 PolarHBondContact O-N 2.88Å
105	T	51.6	Low	65.2	Low	94 Å²	94	63.8 Å²	63.8	58%	0.577	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.3	173.2	51.6	0	0	0	0	114.2	T103	T103-T105 PolarHBondContact O-N 2.82Å
106	S	72.4	Confident	67.9	Low	46 Å²	46	58.1 Å²	58.1	32%	0.322	35%	0.35	S	S	.	.	S	Bend	trans	-98.3	-8	-175.5	-63.4	0	0	0	0	114.1	T103 D135 V136	T103-S106 VanDerWaalsContact CB-OG 3.24Å; T103-S106 WeakPolarHBondContact CB-OG 3.28Å; T103-S106 PolarHBondContact O-N 3.49Å; T103-S106 WeakPolarHBondContact OG1-CB 3.45Å; T103-S106 PolarHBondContact OG1-OG 3.07Å; S106-D135 CarbonylContact O-C 3.59Å; S106-D135 VanDerWaalsContact O-CA 3.25Å; S106-D135 WeakPolarHBondContact O-CA 3.25Å; S106-V136 PolarHBondContact O-N 2.65Å
107	T	85.7	Confident	70.5	Confident	21 Å²	21	55.7 Å²	55.7	13%	0.129	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123	-177.6	59.9	0	0	0	0	112.7	I31 A86 T134 Y202	I31-T107 HydrophobicContact CD1-CG2 4.21Å; I31-T107 HydrophobicContact CG1-CG2 4.47Å; A86-T107 HydrophobicContact CB-CG2 4.49Å; T107-T134 CarbonylContact C-O 3.49Å; T107-T134 WeakPolarHBondContact CA-O 3.39Å; T107-Y202 WeakPolarHBondContact O-CD1 3.29Å
108	A	90.7	Very high	72.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.4	170.3	0	0	0	0	0	110.4	T134 V136 Y202 L203 M207	A108-T134 HydrophobicContact CB-CG2 3.94Å; A108-T134 PolarHBondContact N-O 3.19Å; A108-T134 PolarHBondContact O-N 3.14Å; A108-T134 VanDerWaalsContact O-O 3.13Å; A108-V136 HydrophobicContact CB-CG2 4Å; A108-Y202 CarbonylContact C-O 3.53Å; A108-Y202 VanDerWaalsContact CA-O 3.32Å; A108-Y202 WeakPolarHBondContact CA-O 3.32Å; A108-L203 HydrophobicContact CB-CD2 4.05Å; A108-M207 HydrophobicContact CB-CE 3.91Å; A108-M207 HydrophobicContact CB-SD 3.24Å; A108-M207 WeakPolarHBondContact CB-SD 3.4Å
109	T	93.9	Very high	74.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.7	-172.4	61.6	0	0	0	0	112	F87 I132 I133 Y200 F201 Y202	F87-T109 HydrophobicContact CD2-CG2 4.26Å; T109-I132 CarbonylContact C-O 3.59Å; T109-I132 VanDerWaalsContact CA-O 3.24Å; T109-I132 WeakPolarHBondContact CA-O 3.41Å; T109-I133 HydrophobicContact CG2-CD1 4.07Å; T109-I133 HydrophobicContact CG2-CG1 3.32Å; T109-Y200 VanDerWaalsContact OG1-CE1 3.3Å; T109-Y200 WeakPolarHBondContact OG1-CE1 3.25Å; T109-F201 CarbonylContact O-C 3.56Å; T109-F201 VanDerWaalsContact O-CA 3.28Å; T109-F201 WeakPolarHBondContact O-CA 3.36Å; T109-Y202 PolarHBondContact N-O 3.05Å; T109-Y202 PolarHBondContact O-N 2.93Å
110	L	95.4	Very high	77	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	122.1	172.1	-178.5	155.4	0	0	0	108.9	Y112 L131 I132 L191 V198 F201 L203 L217	L110-Y112 HydrophobicContact CD2-CD1 3.69Å; L110-Y112 HydrophobicContact CD2-CE1 4.45Å; L110-L131 CarbonylContact O-C 3.5Å; L110-L131 WeakPolarHBondContact O-CA 3.4Å; L110-I132 HydrophobicContact CB-CB 4.35Å; L110-I132 PolarHBondContact N-O 3.32Å; L110-I132 PolarHBondContact O-N 3.07Å; L110-L191 HydrophobicContact CD2-CD1 3.87Å; L110-V198 HydrophobicContact CD1-CG1 4.48Å; L110-V198 HydrophobicContact CD1-CG2 4.43Å; L110-V198 HydrophobicContact CD2-CG1 4.36Å; L110-V198 HydrophobicContact CD2-CG2 4.09Å; L110-V198 HydrophobicContact CG-CG1 4.05Å; L110-V198 HydrophobicContact CG-CG2 4.41Å; L110-F201 HydrophobicContact CB-CB 4.36Å; L110-F201 HydrophobicContact CG-CB 4.28Å; L110-L203 HydrophobicContact CB-CD1 4.45Å; L110-L203 HydrophobicContact CD1-CD1 3.86Å; L110-L217 HydrophobicContact CD1-CD2 3.6Å; L110-L217 HydrophobicContact CD1-CG 4.32Å
111	A	96.6	Very high	79.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.6	-176.9	0	0	0	0	0	110.6	F87 L131 V198 Y199 Y200	F87-A111 HydrophobicContact CE1-CB 4.44Å; F87-A111 HydrophobicContact CE2-CB 4.03Å; F87-A111 HydrophobicContact CZ-CB 3.61Å; A111-L131 HydrophobicContact CB-CD1 3.72Å; A111-V198 WeakPolarHBondContact O-CA 3.31Å; A111-Y199 VanDerWaalsContact C-CE1 3.49Å; A111-Y199 HydrophobicContact CB-CD1 4.4Å; A111-Y199 HydrophobicContact CB-CD2 4.4Å; A111-Y199 HydrophobicContact CB-CE1 3.7Å; A111-Y199 HydrophobicContact CB-CE2 3.68Å; A111-Y199 WeakPolarHBondContact CB-OH 3.32Å; A111-Y199 WeakPolarHBondContact O-CD1 3.48Å; A111-Y199 PolarHBondContact O-N 3.01Å; A111-Y200 PolarHBondContact N-O 3.32Å; A111-Y200 PolarHBondContact O-N 3.24Å
112	Y	96.1	Very high	81.3	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.4	-174.6	59.1	-86.4	0	0	0	111.5	L110 A128 K129 G130 W146 L191 A196 L197	L110-Y112 HydrophobicContact CD2-CD1 3.69Å; L110-Y112 HydrophobicContact CD2-CE1 4.45Å; Y112-A128 HydrophobicContact CD2-CB 4.13Å; Y112-A128 HydrophobicContact CE2-CB 4.09Å; Y112-K129 CarbonylContact O-C 3.47Å; Y112-K129 VanDerWaalsContact O-CA 3.29Å; Y112-K129 WeakPolarHBondContact O-CA 3.46Å; Y112-G130 VanDerWaalsContact CE2-N 3.3Å; Y112-G130 VanDerWaalsContact CZ-CA 3.43Å; Y112-G130 PolarHBondContact N-O 3.25Å; Y112-G130 PolarHBondContact O-N 3.25Å; Y112-W146 PolarHBondContact OH-NE1 3.49Å; Y112-L191 HydrophobicContact CD1-CD1 3.92Å; Y112-L191 HydrophobicContact CD1-CD2 4.06Å; Y112-L191 HydrophobicContact CD2-CD2 3.88Å; Y112-L191 HydrophobicContact CE1-CD1 3.92Å; Y112-L191 HydrophobicContact CE1-CD2 3.8Å; Y112-L191 HydrophobicContact CE2-CD2 3.61Å; Y112-L191 HydrophobicContact CG-CD2 4.1Å; Y112-A196 HydrophobicContact CD2-CB 4.09Å; Y112-A196 HydrophobicContact CG-CB 4.42Å; Y112-L197 CarbonylContact C-O 3.56Å; Y112-L197 WeakPolarHBondContact CA-O 3.4Å; Y112-L197 VanDerWaalsContact CB-O 3.29Å; Y112-L197 WeakPolarHBondContact CB-O 3.45Å
113	S	95.6	Very high	83.2	Confident	1 Å²	1	56 Å²	56	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	138.8	-179.7	-167.7	0	0	0	0	110.1	Q115 A128 K129 L197	S113-Q115 PolarHBondContact O-N 3.07Å; S113-Q115 VanDerWaalsContact OG-C 3.24Å; S113-Q115 PolarHBondContact OG-N 3.21Å; S113-Q115 VanDerWaalsContact OG-N 3.09Å; S113-Q115 PolarHBondContact OG-O 3.3Å; S113-A128 WeakPolarHBondContact CA-O 3.39Å; S113-K129 WeakPolarHBondContact OG-CG 3.43Å; S113-L197 PolarHBondContact N-O 2.92Å
114	D	94.3	Very high	85.1	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.134	32%	0.315	C	S	.	.	S	Bend	trans	-70.3	-14.7	163.3	62.6	-34.3	0	0	0	113.1	S126 A128 K129	D114-S126 WeakPolarHBondContact CB-O 3.13Å; D114-A128 PolarHBondContact N-O 3.38Å; D114-K129 VanDerWaalsContact CG-NZ 3.27Å; D114-K129 WeakPolarHBondContact OD1-CE 3.4Å; D114-K129 WeakPolarHBondContact OD1-CG 3.45Å; D114-K129 IonicContact OD1-NZ 3.62Å; D114-K129 PolarHBondContact OD1-NZ 3.11Å; D114-K129 IonicContact OD2-NZ 3.67Å; D114-K129 PolarHBondContact OD2-NZ 3.03Å; D114-K129 VanDerWaalsContact OD2-NZ 3.15Å
115	Q	94.6	Very high	86.6	Confident	91 Å²	91	58.4 Å²	58.4	43%	0.425	33%	0.333	S	S	.	.	S	Bend	trans	-136	65.4	178	-60.7	175.4	-76.9	0	0	109.9	S113 P152 T153	S113-Q115 PolarHBondContact O-N 3.07Å; S113-Q115 VanDerWaalsContact OG-C 3.24Å; S113-Q115 PolarHBondContact OG-N 3.21Å; S113-Q115 VanDerWaalsContact OG-N 3.09Å; S113-Q115 PolarHBondContact OG-O 3.3Å; Q115-P152 HydrophobicContact CB-CB 3.92Å; Q115-T153 WeakPolarHBondContact O-CA 3.25Å; Q115-T153 PolarHBondContact O-N 2.59Å
116	P	94.1	Very high	88.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.31	C	S	.	.			trans	-69.1	156	-174.2	29.3	-32.9	0	0	0	111.8	G118 I119 L122 Y199	P116-G118 PolarHBondContact O-N 3.37Å; P116-I119 HydrophobicContact CB-CD1 4.45Å; P116-I119 HydrophobicContact CG-CB 3.96Å; P116-I119 HydrophobicContact CG-CD1 3.74Å; P116-I119 HydrophobicContact CG-CG1 4Å; P116-I119 PolarHBondContact O-N 3.15Å; P116-L122 HydrophobicContact CG-CD2 3.61Å; P116-Y199 HydrophobicContact CB-CD1 3.61Å; P116-Y199 HydrophobicContact CB-CD2 4.2Å; P116-Y199 HydrophobicContact CB-CE1 4.3Å; P116-Y199 HydrophobicContact CB-CG 3.54Å
117	P	92	Very high	89.1	Confident	29 Å²	29	56.6 Å²	56.6	19%	0.188	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	137.3	177.8	25.8	-32.7	0	0	0	111.3	I119 A156 Y199	P117-I119 VanDerWaalsContact C-N 3.28Å; P117-I119 PolarHBondContact O-N 2.9Å; P117-A156 HydrophobicContact CB-CB 3.8Å; P117-A156 HydrophobicContact CG-CB 3.88Å; P117-Y199 HydrophobicContact CG-CE2 4.16Å
118	G	88.2	Confident	89.5	Confident	85 Å²	85	56 Å²	56	88%	0.876	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-3.2	176.2	0	0	0	0	0	116	P116	P116-G118 PolarHBondContact O-N 3.37Å
119	I	86.2	Confident	89.8	Confident	85 Å²	85	56.8 Å²	56.8	44%	0.436	32%	0.318	S	S	.	.			trans	-114.2	127.9	177.7	-45.1	-173.8	0	0	0	109.5	P116 P117 L122	P116-I119 HydrophobicContact CB-CD1 4.45Å; P116-I119 HydrophobicContact CG-CB 3.96Å; P116-I119 HydrophobicContact CG-CD1 3.74Å; P116-I119 HydrophobicContact CG-CG1 4Å; P116-I119 PolarHBondContact O-N 3.15Å; P117-I119 VanDerWaalsContact C-N 3.28Å; P117-I119 PolarHBondContact O-N 2.9Å; I119-L122 HydrophobicContact CB-CD2 4.43Å; I119-L122 HydrophobicContact CG2-CB 4.11Å; I119-L122 HydrophobicContact CG2-CD2 3.94Å; I119-L122 HydrophobicContact CG2-CG 4.46Å
120	I	83.2	Confident	90	Very high	144 Å²	144	56.7 Å²	56.7	74%	0.738	32%	0.318	S	S	*	.			trans	-111.9	155.6	178.4	59.9	172.3	0	0	0	110.6	L122	I120-L122 PolarHBondContact O-N 3.03Å; I120-L122 VanDerWaalsContact O-N 3.14Å
121	N	83.1	Confident	90.1	Very high	155 Å²	155	56.6 Å²	56.6	83%	0.829	32%	0.317	S	S	*	.	S	Bend	trans	57.5	25.9	175.1	-56.3	-32.1	0	0	0	115.4
122	L	84.1	Confident	90.2	Very high	70 Å²	70	56.7 Å²	56.7	37%	0.366	32%	0.318	S	S	.	.			trans	-77.4	130.9	178.2	-171.2	57.3	0	0	0	110.7	P116 I119 I120 L197	P116-L122 HydrophobicContact CG-CD2 3.61Å; I119-L122 HydrophobicContact CB-CD2 4.43Å; I119-L122 HydrophobicContact CG2-CB 4.11Å; I119-L122 HydrophobicContact CG2-CD2 3.94Å; I119-L122 HydrophobicContact CG2-CG 4.46Å; I120-L122 PolarHBondContact O-N 3.03Å; I120-L122 VanDerWaalsContact O-N 3.14Å; L122-L197 HydrophobicContact CD1-CD2 4.27Å; L122-L197 HydrophobicContact CD2-CD2 3.1Å; L122-L197 HydrophobicContact CG-CD2 3.82Å
123	Q	79.9	Confident	90.1	Very high	190 Å²	190	56.6 Å²	56.6	89%	0.888	32%	0.317	S	S	*	.			trans	-96.5	127.4	174.5	-65.7	-174.2	-9.9	0	0	109.5
124	S	82.1	Confident	90	Very high	40 Å²	40	56.6 Å²	56.6	28%	0.28	32%	0.317	S	S	.	.			trans	-134.4	136.3	177.9	165.3	0	0	0	0	109.3	S126	S124-S126 PolarHBondContact O-N 3.48Å; S124-S126 PolarHBondContact OG-N 3.41Å; S124-S126 PolarHBondContact OG-O 2.94Å
125	D	79.7	Confident	89.7	Confident	140 Å²	140	56.5 Å²	56.5	75%	0.749	32%	0.317	S	S	*	.	S	Bend	trans	-78.2	-8	172.8	-77.6	-29.6	0	0	0	112.9
126	S	87.1	Confident	89.3	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.084	30%	0.302	C	S	.	.			trans	-106.5	155.4	178.6	-160.7	0	0	0	0	111.4	D114 S124 A128 Q194 A195	D114-S126 WeakPolarHBondContact CB-O 3.13Å; S124-S126 PolarHBondContact O-N 3.48Å; S124-S126 PolarHBondContact OG-N 3.41Å; S124-S126 PolarHBondContact OG-O 2.94Å; S126-A128 WeakPolarHBondContact OG-CB 3.23Å; S126-A128 PolarHBondContact OG-N 2.84Å; S126-Q194 WeakPolarHBondContact CB-O 3.09Å; S126-Q194 PolarHBondContact OG-O 3.38Å; S126-A195 VanDerWaalsContact CB-O 3.25Å; S126-A195 WeakPolarHBondContact CB-O 3.45Å
127	N	89.6	Confident	88.7	Confident	90 Å²	90	60.7 Å²	60.7	48%	0.481	34%	0.337	S	S	.	.			trans	-111.9	11.7	166.7	65.5	-9.1	0	0	0	112.1	L4	L4-N127 VanDerWaalsContact CD1-ND2 3.31Å; L4-N127 WeakPolarHBondContact CD1-ND2 3.05Å
128	A	93.4	Very high	87.7	Confident	10 Å²	10	63.1 Å²	63.1	8%	0.083	35%	0.348	C	S	.	.			trans	-72.6	135.8	-177	0	0	0	0	0	111	Y112 S113 D114 S126 A196	Y112-A128 HydrophobicContact CD2-CB 4.13Å; Y112-A128 HydrophobicContact CE2-CB 4.09Å; S113-A128 WeakPolarHBondContact CA-O 3.39Å; D114-A128 PolarHBondContact N-O 3.38Å; S126-A128 WeakPolarHBondContact OG-CB 3.23Å; S126-A128 PolarHBondContact OG-N 2.84Å; A128-A196 HydrophobicContact CB-CB 4.01Å
129	K	97	Very high	87.2	Confident	16 Å²	16	62 Å²	62	7%	0.07	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.4	171.8	-48.3	179.3	168.1	63.9	0	110.1	Y112 S113 D114 H149 V151	Y112-K129 CarbonylContact O-C 3.47Å; Y112-K129 VanDerWaalsContact O-CA 3.29Å; Y112-K129 WeakPolarHBondContact O-CA 3.46Å; S113-K129 WeakPolarHBondContact OG-CG 3.43Å; D114-K129 VanDerWaalsContact CG-NZ 3.27Å; D114-K129 WeakPolarHBondContact OD1-CE 3.4Å; D114-K129 WeakPolarHBondContact OD1-CG 3.45Å; D114-K129 IonicContact OD1-NZ 3.62Å; D114-K129 PolarHBondContact OD1-NZ 3.11Å; D114-K129 IonicContact OD2-NZ 3.67Å; D114-K129 PolarHBondContact OD2-NZ 3.03Å; D114-K129 VanDerWaalsContact OD2-NZ 3.15Å; K129-H149 WeakPolarHBondContact CB-O 3.4Å; K129-H149 PolarHBondContact O-N 3.17Å; K129-H149 VanDerWaalsContact O-N 3.15Å; K129-V151 WeakPolarHBondContact CD-O 2.82Å
130	G	97.9	Very high	86.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	179.2	-179.6	0	0	0	0	0	115.2	Y112 I147	Y112-G130 VanDerWaalsContact CE2-N 3.3Å; Y112-G130 VanDerWaalsContact CZ-CA 3.43Å; Y112-G130 PolarHBondContact N-O 3.25Å; Y112-G130 PolarHBondContact O-N 3.25Å; G130-I147 CarbonylContact C-O 3.55Å; G130-I147 WeakPolarHBondContact CA-O 3.43Å
131	L	97.8	Very high	86.6	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.6	179.1	177.9	67	0	0	0	108.9	T84 F87 L110 A111 I133 I147 L155	T84-L131 HydrophobicContact CG2-CD2 3.59Å; F87-L131 HydrophobicContact CB-CD2 3.98Å; F87-L131 HydrophobicContact CD1-CD1 4.1Å; F87-L131 HydrophobicContact CD1-CD2 3.83Å; F87-L131 HydrophobicContact CD2-CD1 3.83Å; F87-L131 HydrophobicContact CE1-CD1 4.15Å; F87-L131 HydrophobicContact CE1-CD2 4.45Å; F87-L131 HydrophobicContact CE2-CD1 3.86Å; F87-L131 HydrophobicContact CG-CD1 3.93Å; F87-L131 HydrophobicContact CG-CD2 3.91Å; F87-L131 HydrophobicContact CZ-CD1 4.03Å; L110-L131 CarbonylContact O-C 3.5Å; L110-L131 WeakPolarHBondContact O-CA 3.4Å; A111-L131 HydrophobicContact CB-CD1 3.72Å; L131-I133 HydrophobicContact CD2-CD1 4.39Å; L131-I147 HydrophobicContact CB-CB 4.46Å; L131-I147 PolarHBondContact N-O 2.96Å; L131-I147 PolarHBondContact O-N 2.77Å; L131-L155 HydrophobicContact CB-CD1 4.06Å; L131-L155 HydrophobicContact CD2-CD1 4.22Å
132	I	97.4	Very high	86.9	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.2	167.5	-69.3	174.1	0	0	0	106	T109 L110 I144 W146 I184 L187 L191	T109-I132 CarbonylContact C-O 3.59Å; T109-I132 VanDerWaalsContact CA-O 3.24Å; T109-I132 WeakPolarHBondContact CA-O 3.41Å; L110-I132 HydrophobicContact CB-CB 4.35Å; L110-I132 PolarHBondContact N-O 3.32Å; L110-I132 PolarHBondContact O-N 3.07Å; I132-I144 HydrophobicContact CG2-CG2 3.75Å; I132-W146 HydrophobicContact CG1-CG 4.28Å; I132-I184 HydrophobicContact CG2-CD1 3.69Å; I132-L187 HydrophobicContact CD1-CB 4.01Å; I132-L187 HydrophobicContact CD1-CD1 3.99Å; I132-L187 HydrophobicContact CG1-CD1 4.46Å; I132-L191 HydrophobicContact CD1-CD1 4.13Å
133	I	94.9	Very high	87.3	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.3	177.2	-128.7	-176.5	0	0	0	107.6	I31 A86 F87 T109 L131 I144 A145	I31-I133 HydrophobicContact CG2-CB 4.3Å; I31-I133 HydrophobicContact CG2-CG2 3.15Å; I31-I133 VanDerWaalsContact CG2-O 3.25Å; I31-I133 WeakPolarHBondContact CG2-O 3.12Å; A86-I133 HydrophobicContact CB-CD1 4.16Å; F87-I133 HydrophobicContact CB-CD1 3.57Å; F87-I133 HydrophobicContact CB-CG1 4.47Å; T109-I133 HydrophobicContact CG2-CD1 4.07Å; T109-I133 HydrophobicContact CG2-CG1 3.32Å; L131-I133 HydrophobicContact CD2-CD1 4.39Å; I133-I144 WeakPolarHBondContact O-CA 3.24Å; I133-A145 HydrophobicContact CG2-CB 3.85Å; I133-A145 PolarHBondContact N-O 3.49Å; I133-A145 PolarHBondContact O-N 2.8Å
134	T	93.1	Very high	88	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	168	-178.4	-173.4	0	0	0	0	110.1	T107 A108 A143 I144 Q181 M207	T107-T134 CarbonylContact C-O 3.49Å; T107-T134 WeakPolarHBondContact CA-O 3.39Å; A108-T134 HydrophobicContact CB-CG2 3.94Å; A108-T134 PolarHBondContact N-O 3.19Å; A108-T134 PolarHBondContact O-N 3.14Å; A108-T134 VanDerWaalsContact O-O 3.13Å; T134-A143 WeakPolarHBondContact CB-O 3.2Å; T134-A143 PolarHBondContact OG1-O 2.82Å; T134-I144 HydrophobicContact CG2-CG1 4.12Å; T134-Q181 WeakPolarHBondContact OG1-CG 3.25Å; T134-Q181 PolarHBondContact OG1-NE2 3.24Å; T134-M207 HydrophobicContact CG2-CE 3.84Å
135	D	88.7	Confident	88.8	Confident	23 Å²	23	41.4 Å²	41.4	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	152.9	170	-60.6	-64.2	0	0	0	110.9	P30 I31 S106 Q181	P30-D135 WeakPolarHBondContact CA-OD2 3.24Å; I31-D135 PolarHBondContact N-OD2 2.73Å; S106-D135 CarbonylContact O-C 3.59Å; S106-D135 VanDerWaalsContact O-CA 3.25Å; S106-D135 WeakPolarHBondContact O-CA 3.25Å; D135-Q181 PolarHBondContact O-NE2 3Å
136	V	85.5	Confident	89.6	Confident	19 Å²	19	35.5 Å²	35.5	12%	0.115	21%	0.208	C	C	.	.	S	Bend	trans	-72.6	-42.9	175.2	166.6	0	0	0	0	110.3	S106 A108 Y202 P204	S106-V136 PolarHBondContact O-N 2.65Å; A108-V136 HydrophobicContact CB-CG2 4Å; V136-Y202 HydrophobicContact CG2-CE1 4.12Å; V136-P204 HydrophobicContact CB-CG 4.49Å; V136-P204 HydrophobicContact CG1-CB 4.33Å; V136-P204 HydrophobicContact CG1-CG 3.77Å; V136-P204 HydrophobicContact CG2-CG 3.89Å
137	E	81.1	Confident	90.2	Very high	159 Å²	159	35.1 Å²	35.1	74%	0.743	21%	0.205	S	C	*	.	S	Bend	trans	-82.6	138	178.7	-64.2	-171.9	171.2	0	0	110.2	S142	E137-S142 PolarHBondContact O-OG 3.4Å
138	I	71.5	Confident	90.6	Very high	81 Å²	81	33.2 Å²	33.2	42%	0.415	20%	0.196	S	C	.	.			trans	-90.4	113	169	-61.2	171.1	0	0	0	106.4	Q181	I138-Q181 HydrophobicContact CG1-CG 4.43Å
139	A	77.7	Confident	90.8	Very high	62 Å²	62	33.1 Å²	33.1	51%	0.512	19%	0.194	S	C	.	.			trans	-109	169.3	163.2	0	0	0	0	0	109.4	G141 S142	A139-G141 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact N-OG 3Å; A139-S142 WeakPolarHBondContact O-CB 3.24Å; A139-S142 PolarHBondContact O-N 3.31Å; A139-S142 PolarHBondContact O-OG 3.23Å; A139-S142 VanDerWaalsContact O-OG 3.11Å
140	N	76.2	Confident	90.8	Very high	178 Å²	178	35.4 Å²	35.4	95%	0.952	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	129	172.2	-170.7	12.4	0	0	0	109.5
141	G	80.8	Confident	90.7	Very high	54 Å²	54	35.5 Å²	35.5	56%	0.557	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	4.7	-175.1	0	0	0	0	0	115.2	A139 A143	A139-G141 PolarHBondContact O-N 3.47Å; G141-A143 PolarHBondContact O-N 3.33Å
142	S	88.8	Confident	90.6	Very high	16 Å²	16	36 Å²	36	11%	0.112	21%	0.213	C	C	.	.			trans	-61.2	133.1	173.1	-69.2	0	0	0	0	111.6	E137 A139 Q181	E137-S142 PolarHBondContact O-OG 3.4Å; A139-S142 PolarHBondContact N-OG 3Å; A139-S142 WeakPolarHBondContact O-CB 3.24Å; A139-S142 PolarHBondContact O-N 3.31Å; A139-S142 PolarHBondContact O-OG 3.23Å; A139-S142 VanDerWaalsContact O-OG 3.11Å; S142-Q181 WeakPolarHBondContact O-CB 3.15Å; S142-Q181 PolarHBondContact O-N 2.89Å; S142-Q181 VanDerWaalsContact O-N 3.13Å
143	A	93.4	Very high	90.4	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.7	-175.2	0	0	0	0	0	111.7	I31 T32 T134 G141 T178 V179 T237	I31-A143 CarbonylContact O-C 3.59Å; I31-A143 WeakPolarHBondContact O-CB 3.33Å; T32-A143 HydrophobicContact CG2-CB 4.24Å; T134-A143 WeakPolarHBondContact CB-O 3.2Å; T134-A143 PolarHBondContact OG1-O 2.82Å; G141-A143 PolarHBondContact O-N 3.33Å; A143-T178 HydrophobicContact CB-CG2 3.77Å; A143-V179 CarbonylContact C-O 3.56Å; A143-V179 VanDerWaalsContact CA-O 3.28Å; A143-V179 WeakPolarHBondContact CA-O 3.31Å; A143-V179 WeakPolarHBondContact CB-O 3.2Å; A143-T237 HydrophobicContact CB-CG2 4.27Å
144	I	95.4	Very high	90.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.5	170	-72	158.9	0	0	0	106.8	I132 I133 T134 W146 T178 V179 Q181 I184 L187	I132-I144 HydrophobicContact CG2-CG2 3.75Å; I133-I144 WeakPolarHBondContact O-CA 3.24Å; T134-I144 HydrophobicContact CG2-CG1 4.12Å; I144-W146 HydrophobicContact CG2-CB 3.98Å; I144-T178 WeakPolarHBondContact O-CA 3.48Å; I144-V179 HydrophobicContact CB-CG2 3.94Å; I144-V179 HydrophobicContact CG2-CG2 4.26Å; I144-V179 PolarHBondContact N-O 2.97Å; I144-V179 PolarHBondContact O-N 2.89Å; I144-Q181 HydrophobicContact CD1-CG 4.43Å; I144-Q181 HydrophobicContact CG1-CB 4.38Å; I144-Q181 HydrophobicContact CG1-CG 4.26Å; I144-I184 HydrophobicContact CD1-CB 3.92Å; I144-I184 HydrophobicContact CD1-CD1 3.88Å; I144-L187 HydrophobicContact CD1-CD1 4.36Å; I144-L187 HydrophobicContact CG2-CD1 4.37Å
145	A	97.1	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	108.8	157.6	0	0	0	0	0	107.9	I31 T83 I133	I31-A145 HydrophobicContact CG2-CB 4.12Å; T83-A145 HydrophobicContact CG2-CB 3.73Å; I133-A145 HydrophobicContact CG2-CB 3.85Å; I133-A145 PolarHBondContact N-O 3.49Å; I133-A145 PolarHBondContact O-N 2.8Å
146	W	98.1	Very high	90.5	Very high	17 Å²	17	38.7 Å²	38.7	6%	0.064	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.7	178.6	177.8	30.2	0	0	0	110.3	Y112 I132 I144 V148 C176 L177 L187 V234 M247	Y112-W146 PolarHBondContact OH-NE1 3.49Å; I132-W146 HydrophobicContact CG1-CG 4.28Å; I144-W146 HydrophobicContact CG2-CB 3.98Å; W146-V148 HydrophobicContact CD2-CG2 4.37Å; W146-V148 HydrophobicContact CH2-CG2 4.39Å; W146-V148 HydrophobicContact CZ2-CG2 3.6Å; W146-C176 CarbonylContact O-C 3.52Å; W146-C176 WeakPolarHBondContact O-CA 3.44Å; W146-L177 HydrophobicContact CE3-CD1 3.82Å; W146-L177 HydrophobicContact CZ3-CD1 3.94Å; W146-L177 PolarHBondContact N-O 3.32Å; W146-L177 PolarHBondContact O-N 2.75Å; W146-L187 HydrophobicContact CB-CD1 4.35Å; W146-L187 HydrophobicContact CD2-CD1 4.14Å; W146-L187 HydrophobicContact CD2-CD2 3.93Å; W146-L187 HydrophobicContact CE3-CD1 4.3Å; W146-L187 HydrophobicContact CE3-CD2 3.55Å; W146-L187 HydrophobicContact CG-CD1 4.16Å; W146-L187 HydrophobicContact CH2-CD2 3.92Å; W146-L187 HydrophobicContact CZ2-CD2 4.23Å; W146-L187 HydrophobicContact CZ3-CD2 3.55Å; W146-V234 HydrophobicContact CZ3-CG2 4.43Å; W146-M247 HydrophobicContact CH2-CG 4.1Å; W146-M247 HydrophobicContact CH2-SD 3.32Å; W146-M247 WeakPolarHBondContact CH2-SD 3.41Å; W146-M247 HydrophobicContact CZ2-SD 4.38Å; W146-M247 HydrophobicContact CZ3-CG 4.43Å; W146-M247 HydrophobicContact CZ3-SD 3.6Å; W146-M247 VanDerWaalsContact CZ3-SD 3.6Å
147	I	98.3	Very high	90.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.8	178.9	-63.7	166.9	0	0	0	109.9	T83 T84 G130 L131 L175 C176	T83-I147 HydrophobicContact CG2-CD1 3.8Å; T83-I147 HydrophobicContact CG2-CG1 4.45Å; T84-I147 HydrophobicContact CG2-CD1 3.22Å; G130-I147 CarbonylContact C-O 3.55Å; G130-I147 WeakPolarHBondContact CA-O 3.43Å; L131-I147 HydrophobicContact CB-CB 4.46Å; L131-I147 PolarHBondContact N-O 2.96Å; L131-I147 PolarHBondContact O-N 2.77Å; I147-L175 CarbonylContact C-O 3.58Å; I147-L175 VanDerWaalsContact CA-O 3.27Å; I147-L175 WeakPolarHBondContact CA-O 3.29Å; I147-C176 HydrophobicContact CG1-CB 3.97Å
148	V	98	Very high	90.6	Very high	49 Å²	49	35.2 Å²	35.2	30%	0.297	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.4	167.3	-176.9	0	0	0	0	108.1	W146 A174 L175	W146-V148 HydrophobicContact CD2-CG2 4.37Å; W146-V148 HydrophobicContact CH2-CG2 4.39Å; W146-V148 HydrophobicContact CZ2-CG2 3.6Å; V148-A174 CarbonylContact O-C 3.59Å; V148-A174 WeakPolarHBondContact O-CA 3.19Å; V148-L175 PolarHBondContact N-O 2.87Å; V148-L175 PolarHBondContact O-N 3.15Å
149	H	97.8	Very high	91.2	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	170.9	-176.9	67.7	84.5	0	0	0	113.7	K129 V151 F154 M173 A174	K129-H149 WeakPolarHBondContact CB-O 3.4Å; K129-H149 PolarHBondContact O-N 3.17Å; K129-H149 VanDerWaalsContact O-N 3.15Å; H149-V151 PolarHBondContact CE1-O 3.26Å; H149-V151 PolarHBondContact ND1-N 3.06Å; H149-V151 PolarHBondContact ND1-O 3.44Å; H149-V151 VanDerWaalsContact ND1-O 3.12Å; H149-F154 AromaticContact CE1-CD1 3.97Å; H149-M173 CarbonylContact C-O 3.57Å; H149-M173 VanDerWaalsContact CA-O 3.24Å; H149-M173 WeakPolarHBondContact CA-O 3.38Å; H149-A174 HydrophobicContact CB-CB 3.99Å
150	T	97.2	Very high	91.6	Very high	63 Å²	63	35.5 Å²	35.5	39%	0.387	21%	0.214	S	C	.	.			trans	-110.7	-4.1	177	67.9	0	0	0	0	114.2	P152 H172 M173	T150-P152 WeakPolarHBondContact O-CD 3.38Å; T150-H172 PolarHBondContact O-ND1 3.06Å; T150-H172 WeakPolarHBondContact OG1-CA 3.19Å; T150-H172 PolarHBondContact OG1-ND1 3.34Å; T150-M173 HydrophobicContact CG2-CB 4.48Å; T150-M173 PolarHBondContact N-O 3.43Å; T150-M173 PolarHBondContact OG1-N 3.37Å
151	V	96.8	Very high	92.4	Very high	2 Å²	2	28 Å²	28	1%	0.012	17%	0.172	C	C	.	.			trans	-73.5	123.6	-176.1	-163.8	0	0	0	0	111.3	K129 H149 F154 F163 Q167 H172	K129-V151 WeakPolarHBondContact CD-O 2.82Å; H149-V151 PolarHBondContact CE1-O 3.26Å; H149-V151 PolarHBondContact ND1-N 3.06Å; H149-V151 PolarHBondContact ND1-O 3.44Å; H149-V151 VanDerWaalsContact ND1-O 3.12Å; V151-F154 HydrophobicContact CB-CB 3.68Å; V151-F154 HydrophobicContact CB-CD1 3.74Å; V151-F154 HydrophobicContact CB-CG 3.76Å; V151-F154 HydrophobicContact CG1-CB 3.62Å; V151-F154 HydrophobicContact CG1-CD1 4.21Å; V151-F154 HydrophobicContact CG1-CD2 4.15Å; V151-F154 HydrophobicContact CG1-CG 3.75Å; V151-F154 HydrophobicContact CG2-CD1 4Å; V151-F154 HydrophobicContact CG2-CE1 4.35Å; V151-F154 HydrophobicContact CG2-CG 4.37Å; V151-F163 HydrophobicContact CG1-CD2 4.05Å; V151-F163 HydrophobicContact CG1-CE2 3.54Å; V151-F163 HydrophobicContact CG1-CZ 4.35Å; V151-F163 HydrophobicContact CG2-CE2 4.07Å; V151-Q167 HydrophobicContact CG1-CG 4.43Å; V151-H172 HydrophobicContact CG2-CB 3.78Å
152	P	95.1	Very high	93	Very high	11 Å²	11	32 Å²	32	7%	0.071	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	156.8	172.1	33.8	-36.2	0	0	0	111.6	Q115 T150 F154 Q167	Q115-P152 HydrophobicContact CB-CB 3.92Å; T150-P152 WeakPolarHBondContact O-CD 3.38Å; P152-F154 PolarHBondContact O-N 2.87Å; P152-F154 VanDerWaalsContact O-N 3.16Å; P152-Q167 VanDerWaalsContact CD-OE1 3.29Å; P152-Q167 HydrophobicContact CG-CG 3.83Å
153	T	94	Very high	93.3	Very high	60 Å²	60	32.2 Å²	32.2	37%	0.368	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	33.6	176.4	62.4	0	0	0	0	113.6	Q115	Q115-T153 WeakPolarHBondContact O-CA 3.25Å; Q115-T153 PolarHBondContact O-N 2.59Å
154	F	94.3	Very high	93.3	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.013	19%	0.185	C	C	.	.			trans	-113.8	155.7	-169.3	-172.2	-127.1	0	0	0	111.6	I80 H149 V151 P152 Y161 K162 F163	I80-F154 HydrophobicContact CG2-CE1 3.83Å; I80-F154 HydrophobicContact CG2-CZ 3.79Å; H149-F154 AromaticContact CE1-CD1 3.97Å; V151-F154 HydrophobicContact CB-CB 3.68Å; V151-F154 HydrophobicContact CB-CD1 3.74Å; V151-F154 HydrophobicContact CB-CG 3.76Å; V151-F154 HydrophobicContact CG1-CB 3.62Å; V151-F154 HydrophobicContact CG1-CD1 4.21Å; V151-F154 HydrophobicContact CG1-CD2 4.15Å; V151-F154 HydrophobicContact CG1-CG 3.75Å; V151-F154 HydrophobicContact CG2-CD1 4Å; V151-F154 HydrophobicContact CG2-CE1 4.35Å; V151-F154 HydrophobicContact CG2-CG 4.37Å; P152-F154 PolarHBondContact O-N 2.87Å; P152-F154 VanDerWaalsContact O-N 3.16Å; F154-Y161 AromaticContact CE2-CE2 3.89Å; F154-Y161 HydrophobicContact CE2-CE2 3.89Å; F154-Y161 AromaticContact CE2-CZ 3.84Å; F154-Y161 AromaticContact CZ-CE2 3.66Å; F154-Y161 HydrophobicContact CZ-CE2 3.66Å; F154-Y161 AromaticContact CZ-CZ 3.75Å; F154-Y161 WeakPolarHBondContact CZ-OH 3.41Å; F154-K162 WeakPolarHBondContact CD2-O 3.3Å; F154-F163 HydrophobicContact CD2-CD2 4.28Å; F154-F163 HydrophobicContact CE2-CD2 4.09Å
155	L	93.3	Very high	93.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.219	C	C	.	.			trans	56.8	70.8	-175.9	-57.7	175.6	0	0	0	112.6	T84 F87 V88 L131 Y161 Y199	T84-L155 HydrophobicContact CG2-CD1 4.34Å; T84-L155 HydrophobicContact CG2-CD2 4.15Å; F87-L155 HydrophobicContact CD1-CB 4.42Å; F87-L155 HydrophobicContact CE1-CB 3.99Å; F87-L155 WeakPolarHBondContact CE1-O 3.45Å; V88-L155 HydrophobicContact CG1-CD2 3.85Å; L131-L155 HydrophobicContact CB-CD1 4.06Å; L131-L155 HydrophobicContact CD2-CD1 4.22Å; L155-Y161 HydrophobicContact CD2-CD2 4.42Å; L155-Y161 HydrophobicContact CD2-CE2 4.27Å; L155-Y199 PolarHBondContact O-OH 2.81Å
156	A	89.8	Confident	93	Very high	22 Å²	22	41.8 Å²	41.8	18%	0.182	24%	0.24	C	C	.	.			trans	-81.1	123.4	170.7	0	0	0	0	0	109.9	P117 A158 M159	P117-A156 HydrophobicContact CB-CB 3.8Å; P117-A156 HydrophobicContact CG-CB 3.88Å; A156-A158 PolarHBondContact O-N 3.32Å; A156-M159 HydrophobicContact CB-CB 3.72Å; A156-M159 HydrophobicContact CB-CG 4.13Å
157	R	87.3	Confident	92.9	Very high	77 Å²	77	41.7 Å²	41.7	29%	0.291	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	134.9	177.9	-176.7	160	-169.9	-105.2	6.9	111.1	F87 M159 Y200	F87-R157 HydrophobicContact CD2-CB 4.37Å; F87-R157 HydrophobicContact CD2-CG 4.2Å; F87-R157 HydrophobicContact CE1-CB 4.13Å; F87-R157 HydrophobicContact CE2-CB 3.77Å; F87-R157 HydrophobicContact CE2-CG 3.98Å; F87-R157 HydrophobicContact CZ-CB 3.64Å; F87-R157 HydrophobicContact CZ-CG 4.34Å; F87-R157 WeakPolarHBondContact O-CG 3.24Å; R157-M159 WeakPolarHBondContact O-CG 3.39Å; R157-M159 PolarHBondContact O-N 2.94Å; R157-Y200 VanDerWaalsContact NE-CZ 3.29Å; R157-Y200 PolarHBondContact NE-OH 3.35Å; R157-Y200 PolarHBondContact NH1-OH 3.48Å; R157-Y200 PolarHBondContact NH2-OH 3.26Å
158	A	81.6	Confident	92.8	Very high	28 Å²	28	43.3 Å²	43.3	23%	0.231	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	18.9	173.8	0	0	0	0	0	115	F87 V88 V90 A156	F87-A158 PolarHBondContact O-N 2.74Å; V88-A158 CarbonylContact O-C 3.51Å; V88-A158 VanDerWaalsContact O-CA 3.31Å; V88-A158 WeakPolarHBondContact O-CA 3.49Å; V88-A158 PolarHBondContact O-N 3.23Å; V90-A158 WeakPolarHBondContact O-CB 3.31Å; A156-A158 PolarHBondContact O-N 3.32Å
159	M	84.4	Confident	92.7	Very high	125 Å²	125	45.2 Å²	45.2	62%	0.616	27%	0.268	S	S	*	.	S	Bend	trans	-112.2	9.3	179.2	-66.7	-65.9	-70.6	0	0	111.8	V88 A156 R157 K162	V88-M159 PolarHBondContact O-N 3.21Å; A156-M159 HydrophobicContact CB-CB 3.72Å; A156-M159 HydrophobicContact CB-CG 4.13Å; R157-M159 WeakPolarHBondContact O-CG 3.39Å; R157-M159 PolarHBondContact O-N 2.94Å; M159-K162 WeakPolarHBondContact O-CE 3.34Å
160	G	87.1	Confident	92.7	Very high	24 Å²	24	49.5 Å²	49.5	25%	0.247	29%	0.286	C	S	.	.			trans	72.6	160.5	-170	0	0	0	0	0	112.3	V88 K162	V88-G160 WeakPolarHBondContact O-CA 3.35Å; V88-G160 PolarHBondContact O-N 2.99Å; G160-K162 PolarHBondContact O-N 3.3Å
161	Y	92.6	Very high	92.6	Very high	19 Å²	19	48.1 Å²	48.1	8%	0.075	28%	0.284	C	S	.	.			trans	-69.2	121.7	174.9	-174.1	-92.4	0	0	0	111.6	I72 T75 N78 I80 Y81 V88 F154 L155	I72-Y161 WeakPolarHBondContact O-CE1 3.44Å; I72-Y161 PolarHBondContact O-OH 3.2Å; I72-Y161 VanDerWaalsContact O-OH 3.1Å; T75-Y161 HydrophobicContact CG2-CD1 3.94Å; T75-Y161 HydrophobicContact CG2-CG 4.23Å; N78-Y161 VanDerWaalsContact ND2-CZ 3.34Å; N78-Y161 PolarHBondContact ND2-OH 3Å; I80-Y161 HydrophobicContact CG2-CE2 4.14Å; Y81-Y161 VanDerWaalsContact CD2-CB 3.49Å; Y81-Y161 HydrophobicContact CD2-CD1 4.31Å; Y81-Y161 AromaticContact CD2-CD2 3.81Å; Y81-Y161 HydrophobicContact CD2-CD2 3.81Å; Y81-Y161 AromaticContact CD2-CG 3.62Å; Y81-Y161 HydrophobicContact CD2-CG 3.62Å; Y81-Y161 HydrophobicContact CE2-CG 4.48Å; Y81-Y161 HydrophobicContact CG-CD2 4.43Å; Y81-Y161 HydrophobicContact CG-CG 4.43Å; V88-Y161 HydrophobicContact CG1-CD2 4.48Å; V88-Y161 HydrophobicContact CG2-CD2 4.3Å; F154-Y161 AromaticContact CE2-CE2 3.89Å; F154-Y161 HydrophobicContact CE2-CE2 3.89Å; F154-Y161 AromaticContact CE2-CZ 3.84Å; F154-Y161 AromaticContact CZ-CE2 3.66Å; F154-Y161 HydrophobicContact CZ-CE2 3.66Å; F154-Y161 AromaticContact CZ-CZ 3.75Å; F154-Y161 WeakPolarHBondContact CZ-OH 3.41Å; L155-Y161 HydrophobicContact CD2-CD2 4.42Å; L155-Y161 HydrophobicContact CD2-CE2 4.27Å
162	K	93.1	Very high	92.7	Very high	138 Å²	138	48.8 Å²	48.8	60%	0.6	29%	0.287	S	S	*	.			trans	-138.2	128.8	-179.4	-67.8	-176.9	-178.6	173.8	0	111	F154 M159 G160	F154-K162 WeakPolarHBondContact CD2-O 3.3Å; M159-K162 WeakPolarHBondContact O-CE 3.34Å; G160-K162 PolarHBondContact O-N 3.3Å
163	F	95.2	Very high	92.8	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.096	30%	0.301	C	S	.	.			trans	-106.3	124.1	169.1	-172.6	-93.2	0	0	0	109.2	K47 I72 T73 V151 F154 Q167	K47-F163 HydrophobicContact CD-CE1 4.01Å; K47-F163 HydrophobicContact CD-CE2 4.42Å; K47-F163 HydrophobicContact CD-CZ 3.67Å; I72-F163 HydrophobicContact CD1-CD2 3.83Å; I72-F163 HydrophobicContact CD1-CE2 3.57Å; I72-F163 HydrophobicContact CD1-CZ 4.23Å; I72-F163 HydrophobicContact CG1-CD2 3.86Å; I72-F163 HydrophobicContact CG1-CE2 4.11Å; I72-F163 HydrophobicContact CG1-CG 4.34Å; I72-F163 HydrophobicContact CG2-CD1 3.81Å; I72-F163 HydrophobicContact CG2-CD2 4.13Å; I72-F163 HydrophobicContact CG2-CE1 3.97Å; I72-F163 HydrophobicContact CG2-CE2 4.29Å; I72-F163 HydrophobicContact CG2-CG 3.89Å; I72-F163 HydrophobicContact CG2-CZ 4.22Å; T73-F163 HydrophobicContact CG2-CB 4.19Å; T73-F163 HydrophobicContact CG2-CD1 4.35Å; V151-F163 HydrophobicContact CG1-CD2 4.05Å; V151-F163 HydrophobicContact CG1-CE2 3.54Å; V151-F163 HydrophobicContact CG1-CZ 4.35Å; V151-F163 HydrophobicContact CG2-CE2 4.07Å; F154-F163 HydrophobicContact CD2-CD2 4.28Å; F154-F163 HydrophobicContact CE2-CD2 4.09Å; F163-Q167 HydrophobicContact CE1-CB 3.88Å; F163-Q167 HydrophobicContact CE2-CB 4.42Å; F163-Q167 HydrophobicContact CZ-CB 3.67Å
164	S	92.7	Very high	93	Very high	36 Å²	36	49 Å²	49	25%	0.252	28%	0.284	S	S	.	.			trans	-70	133.9	-172.7	179.2	0	0	0	0	111.9	S166 Q167	S164-S166 PolarHBondContact O-N 3.02Å; S164-S166 PolarHBondContact OG-N 3.49Å; S164-S166 PolarHBondContact OG-OG 3.28Å; S164-Q167 WeakPolarHBondContact O-CB 3.44Å; S164-Q167 PolarHBondContact O-N 3.25Å
165	S	93.1	Very high	93.2	Very high	105 Å²	105	50 Å²	50	73%	0.734	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-58.9	-29.6	176.4	56.3	0	0	0	0	113	Q167 S168	S165-Q167 PolarHBondContact O-N 2.82Å; S165-Q167 VanDerWaalsContact O-N 3.15Å; S165-S168 WeakPolarHBondContact O-CB 3.34Å; S165-S168 PolarHBondContact O-N 3.09Å; S165-S168 VanDerWaalsContact O-N 3.13Å; S165-S168 PolarHBondContact O-OG 3.46Å
166	S	93.9	Very high	93.5	Very high	62 Å²	62	50 Å²	50	43%	0.434	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.1	-14.4	174.2	70	0	0	0	0	114.3	S164	S164-S166 PolarHBondContact O-N 3.02Å; S164-S166 PolarHBondContact OG-N 3.49Å; S164-S166 PolarHBondContact OG-OG 3.28Å
167	Q	96.2	Very high	93.8	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.07	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-106.8	-4.3	179	-53.3	-50.7	-56.8	0	0	112.3	V151 P152 F163 S164 S165 S169 K170 H172	V151-Q167 HydrophobicContact CG1-CG 4.43Å; P152-Q167 VanDerWaalsContact CD-OE1 3.29Å; P152-Q167 HydrophobicContact CG-CG 3.83Å; F163-Q167 HydrophobicContact CE1-CB 3.88Å; F163-Q167 HydrophobicContact CE2-CB 4.42Å; F163-Q167 HydrophobicContact CZ-CB 3.67Å; S164-Q167 WeakPolarHBondContact O-CB 3.44Å; S164-Q167 PolarHBondContact O-N 3.25Å; S165-Q167 PolarHBondContact O-N 2.82Å; S165-Q167 VanDerWaalsContact O-N 3.15Å; Q167-S169 VanDerWaalsContact C-N 3.28Å; Q167-S169 PolarHBondContact O-N 2.88Å; Q167-K170 PolarHBondContact O-N 3.06Å; Q167-K170 VanDerWaalsContact O-N 3.13Å; Q167-H172 PolarHBondContact OE1-CE1 3.11Å; Q167-H172 PolarHBondContact OE1-NE2 3.15Å
168	S	95.3	Very high	94.3	Very high	37 Å²	37	45.7 Å²	45.7	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.7	-178.4	-64.6	0	0	0	0	113.3	K47 S165 K170	K47-S168 PolarHBondContact NZ-O 3.32Å; S165-S168 WeakPolarHBondContact O-CB 3.34Å; S165-S168 PolarHBondContact O-N 3.09Å; S165-S168 VanDerWaalsContact O-N 3.13Å; S165-S168 PolarHBondContact O-OG 3.46Å; S168-K170 VanDerWaalsContact C-N 3.33Å
169	S	96.2	Very high	95	Very high	90 Å²	90	44.4 Å²	44.4	63%	0.629	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	10.2	178	56.6	0	0	0	0	114.1	P49 Q167	P49-S169 CarbonylContact O-C 3.52Å; P49-S169 WeakPolarHBondContact O-CA 3.32Å; Q167-S169 VanDerWaalsContact C-N 3.28Å; Q167-S169 PolarHBondContact O-N 2.88Å
170	K	97.2	Very high	95.4	Very high	99 Å²	99	42.6 Å²	42.6	43%	0.43	25%	0.249	S	C	.	.	S	Bend	trans	-120.6	149.6	-174.3	-61.3	-176.4	-171.7	170	0	111.8	K47 Q167 S168 H172	K47-K170 WeakPolarHBondContact CE-O 3.29Å; K47-K170 PolarHBondContact NZ-O 2.98Å; Q167-K170 PolarHBondContact O-N 3.06Å; Q167-K170 VanDerWaalsContact O-N 3.13Å; S168-K170 VanDerWaalsContact C-N 3.33Å; K170-H172 PolarHBondContact O-CD2 3.5Å
171	G	96.6	Very high	95.7	Very high	34 Å²	34	41.7 Å²	41.7	35%	0.351	24%	0.238	S	C	.	.			trans	-79.3	135.8	175.1	0	0	0	0	0	111.1	K47	K47-G171 VanDerWaalsContact O-CA 3.31Å; K47-G171 WeakPolarHBondContact O-CA 3.11Å
172	H	97.9	Very high	95.7	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.069	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.3	178.3	-69.4	-70.3	0	0	0	112.4	Y46 K47 T150 V151 Q167 K170	Y46-H172 CarbonylContact C-O 3.03Å; Y46-H172 WeakPolarHBondContact CA-O 3.17Å; Y46-H172 WeakPolarHBondContact CD2-O 3.41Å; K47-H172 HydrophobicContact CB-CB 4.5Å; K47-H172 PolarHBondContact N-O 3.43Å; K47-H172 PolarHBondContact O-N 3.21Å; K47-H172 VanDerWaalsContact O-N 3.17Å; T150-H172 PolarHBondContact O-ND1 3.06Å; T150-H172 WeakPolarHBondContact OG1-CA 3.19Å; T150-H172 PolarHBondContact OG1-ND1 3.34Å; V151-H172 HydrophobicContact CG2-CB 3.78Å; Q167-H172 PolarHBondContact OE1-CE1 3.11Å; Q167-H172 PolarHBondContact OE1-NE2 3.15Å; K170-H172 PolarHBondContact O-CD2 3.5Å
173	M	97.9	Very high	95.8	Very high	74 Å²	74	41 Å²	41	37%	0.365	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.5	176.2	-66.9	-176.8	-56.7	0	0	110.7	L44 V45 Y46 H149 T150	L44-M173 HydrophobicContact CD1-CB 4.48Å; V45-M173 CarbonylContact O-C 3.55Å; V45-M173 VanDerWaalsContact O-CA 3.22Å; V45-M173 WeakPolarHBondContact O-CA 3.4Å; Y46-M173 HydrophobicContact CD2-CG 3.71Å; Y46-M173 HydrophobicContact CD2-SD 4.49Å; H149-M173 CarbonylContact C-O 3.57Å; H149-M173 VanDerWaalsContact CA-O 3.24Å; H149-M173 WeakPolarHBondContact CA-O 3.38Å; T150-M173 HydrophobicContact CG2-CB 4.48Å; T150-M173 PolarHBondContact N-O 3.43Å; T150-M173 PolarHBondContact OG1-N 3.37Å
174	A	98.3	Very high	95.8	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	125.5	168.1	0	0	0	0	0	109.6	V45 I80 V148 H149	V45-A174 PolarHBondContact N-O 3.15Å; V45-A174 PolarHBondContact O-N 3.04Å; I80-A174 HydrophobicContact CD1-CB 3.76Å; I80-A174 HydrophobicContact CG1-CB 4.13Å; V148-A174 CarbonylContact O-C 3.59Å; V148-A174 WeakPolarHBondContact O-CA 3.19Å; H149-A174 HydrophobicContact CB-CB 3.99Å
175	L	98.1	Very high	95.9	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.131	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.1	172.5	172.3	67	0	0	0	107.9	I7 F43 L44 I147 V148 L177	I7-L175 HydrophobicContact CD1-CD2 3.45Å; I7-L175 VanDerWaalsContact CD1-CD2 3.45Å; F43-L175 WeakPolarHBondContact O-CA 3.36Å; F43-L175 WeakPolarHBondContact O-CD1 3.37Å; L44-L175 HydrophobicContact CB-CD1 4.35Å; L44-L175 HydrophobicContact CD1-CB 4.24Å; I147-L175 CarbonylContact C-O 3.58Å; I147-L175 VanDerWaalsContact CA-O 3.27Å; I147-L175 WeakPolarHBondContact CA-O 3.29Å; V148-L175 PolarHBondContact N-O 2.87Å; V148-L175 PolarHBondContact O-N 3.15Å; L175-L177 HydrophobicContact CD1-CD2 4.03Å; L175-L177 HydrophobicContact CD1-CG 4.44Å; L175-L177 HydrophobicContact CD2-CD1 4.2Å; L175-L177 HydrophobicContact CD2-CD2 4.27Å; L175-L177 HydrophobicContact CD2-CG 4.19Å; L175-L177 HydrophobicContact CG-CD2 4.2Å; L175-L177 HydrophobicContact CG-CG 4.1Å
176	C	98.3	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.6	167.8	-169.6	0	0	0	0	109.9	C33 W42 F43 W146 I147	C33-C176 VanDerWaalsContact CA-SG 3.56Å; C33-C176 HydrophobicContact CB-CB 3.89Å; C33-C176 WeakPolarHBondContact CB-SG 3.2Å; C33-C176 WeakPolarHBondContact SG-CB 3.37Å; C33-C176 CovalentContact SG-SG 2.03Å; C33-C176 PolarHBondContact SG-SG 3.18Å; W42-C176 WeakPolarHBondContact CA-O 3.29Å; W42-C176 VanDerWaalsContact CB-O 3.31Å; W42-C176 WeakPolarHBondContact CB-O 3.48Å; F43-C176 HydrophobicContact CD1-CB 3.75Å; F43-C176 HydrophobicContact CD2-CB 4.11Å; F43-C176 HydrophobicContact CE1-CB 3.34Å; F43-C176 HydrophobicContact CE2-CB 3.72Å; F43-C176 HydrophobicContact CG-CB 4.12Å; F43-C176 HydrophobicContact CZ-CB 3.32Å; F43-C176 PolarHBondContact N-O 2.77Å; F43-C176 PolarHBondContact O-N 2.99Å; W146-C176 CarbonylContact O-C 3.52Å; W146-C176 WeakPolarHBondContact O-CA 3.44Å; I147-C176 HydrophobicContact CG1-CB 3.97Å
177	L	97.8	Very high	96.1	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	174.1	-59.4	170.8	0	0	0	109.4	C33 W42 W146 L175 V179 T236 I245	C33-L177 PolarHBondContact SG-N 3.19Å; W42-L177 HydrophobicContact CB-CD2 3.83Å; W146-L177 HydrophobicContact CE3-CD1 3.82Å; W146-L177 HydrophobicContact CZ3-CD1 3.94Å; W146-L177 PolarHBondContact N-O 3.32Å; W146-L177 PolarHBondContact O-N 2.75Å; L175-L177 HydrophobicContact CD1-CD2 4.03Å; L175-L177 HydrophobicContact CD1-CG 4.44Å; L175-L177 HydrophobicContact CD2-CD1 4.2Å; L175-L177 HydrophobicContact CD2-CD2 4.27Å; L175-L177 HydrophobicContact CD2-CG 4.19Å; L175-L177 HydrophobicContact CG-CD2 4.2Å; L175-L177 HydrophobicContact CG-CG 4.1Å; L177-V179 HydrophobicContact CB-CG1 3.93Å; L177-T236 HydrophobicContact CD2-CG2 4.25Å; L177-I245 HydrophobicContact CD1-CB 4.4Å; L177-I245 HydrophobicContact CD1-CD1 3.95Å; L177-I245 HydrophobicContact CD1-CG1 3.79Å; L177-I245 HydrophobicContact CD1-CG2 4.27Å; L177-I245 HydrophobicContact CD2-CD1 3.93Å; L177-I245 HydrophobicContact CD2-CG1 4.14Å; L177-I245 HydrophobicContact CG-CD1 4.48Å
178	T	96.8	Very high	96.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.8	167.5	-57.1	0	0	0	0	107.6	T32 C33 V40 D41 A143 I144 T236 T237	T32-T178 HydrophobicContact CG2-CG2 3.57Å; C33-T178 WeakPolarHBondContact CB-OG1 3.35Å; C33-T178 PolarHBondContact N-OG1 2.98Å; C33-T178 PolarHBondContact SG-N 3.49Å; C33-T178 VanDerWaalsContact SG-N 3.4Å; C33-T178 PolarHBondContact SG-OG1 3.47Å; C33-T178 VanDerWaalsContact SG-OG1 3.38Å; V40-T178 PolarHBondContact O-OG1 3.1Å; D41-T178 VanDerWaalsContact O-CB 3.3Å; D41-T178 WeakPolarHBondContact O-CB 3.37Å; D41-T178 PolarHBondContact O-N 2.96Å; D41-T178 PolarHBondContact O-OG1 3.44Å; A143-T178 HydrophobicContact CB-CG2 3.77Å; I144-T178 WeakPolarHBondContact O-CA 3.48Å; T178-T236 CarbonylContact O-C 3.52Å; T178-T236 WeakPolarHBondContact O-CA 3.38Å; T178-T236 WeakPolarHBondContact O-CB 3.41Å; T178-T237 HydrophobicContact CG2-CG2 4.07Å; T178-T237 VanDerWaalsContact CG2-OG1 3.3Å; T178-T237 WeakPolarHBondContact CG2-OG1 3.35Å; T178-T237 PolarHBondContact O-N 2.89Å; T178-T237 VanDerWaalsContact O-N 3.11Å
179	V	96	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.3	-176.7	-57.6	0	0	0	0	110.4	A143 I144 L177 Q181 Y183 L187 V234	A143-V179 CarbonylContact C-O 3.56Å; A143-V179 VanDerWaalsContact CA-O 3.28Å; A143-V179 WeakPolarHBondContact CA-O 3.31Å; A143-V179 WeakPolarHBondContact CB-O 3.2Å; I144-V179 HydrophobicContact CB-CG2 3.94Å; I144-V179 HydrophobicContact CG2-CG2 4.26Å; I144-V179 PolarHBondContact N-O 2.97Å; I144-V179 PolarHBondContact O-N 2.89Å; L177-V179 HydrophobicContact CB-CG1 3.93Å; V179-Q181 PolarHBondContact O-N 2.79Å; V179-Y183 HydrophobicContact CB-CD2 4.06Å; V179-Y183 HydrophobicContact CG2-CD2 4.47Å; V179-L187 HydrophobicContact CG2-CD1 4.41Å; V179-V234 HydrophobicContact CG1-CG2 4.25Å
180	E	94.3	Very high	96	Very high	88 Å²	88	29.3 Å²	29.3	41%	0.411	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	140.4	178.1	-65.9	-176.8	-176.6	0	0	111.8	T182 Y183 T237	E180-T182 WeakPolarHBondContact CB-OG1 2.93Å; E180-T182 PolarHBondContact O-N 3.4Å; E180-T182 VanDerWaalsContact O-N 3.12Å; E180-T182 PolarHBondContact OE2-OG1 3.22Å; E180-Y183 HydrophobicContact CB-CD2 4.14Å; E180-Y183 HydrophobicContact CB-CE2 4.29Å; E180-Y183 WeakPolarHBondContact O-CB 3.44Å; E180-Y183 PolarHBondContact O-N 2.99Å; E180-T237 HydrophobicContact CG-CG2 4.29Å
181	Q	92.6	Very high	95.8	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.023	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.4	-179.7	-169	-179.6	21.1	0	0	113.2	T134 D135 I138 S142 I144 V179 Y183 I184	T134-Q181 WeakPolarHBondContact OG1-CG 3.25Å; T134-Q181 PolarHBondContact OG1-NE2 3.24Å; D135-Q181 PolarHBondContact O-NE2 3Å; I138-Q181 HydrophobicContact CG1-CG 4.43Å; S142-Q181 WeakPolarHBondContact O-CB 3.15Å; S142-Q181 PolarHBondContact O-N 2.89Å; S142-Q181 VanDerWaalsContact O-N 3.13Å; I144-Q181 HydrophobicContact CD1-CG 4.43Å; I144-Q181 HydrophobicContact CG1-CB 4.38Å; I144-Q181 HydrophobicContact CG1-CG 4.26Å; V179-Q181 PolarHBondContact O-N 2.79Å; Q181-Y183 PolarHBondContact O-N 3.45Å; Q181-Y183 VanDerWaalsContact O-N 3.13Å; Q181-I184 WeakPolarHBondContact O-CB 3.31Å; Q181-I184 WeakPolarHBondContact O-CG2 3.44Å; Q181-I184 PolarHBondContact O-N 3.38Å; Q181-I184 VanDerWaalsContact O-N 3.11Å
182	T	92.5	Very high	95.7	Very high	95 Å²	95	24.4 Å²	24.4	58%	0.583	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-58.2	-22.6	174.7	58	0	0	0	0	112.9	E180 I184	E180-T182 WeakPolarHBondContact CB-OG1 2.93Å; E180-T182 PolarHBondContact O-N 3.4Å; E180-T182 VanDerWaalsContact O-N 3.12Å; E180-T182 PolarHBondContact OE2-OG1 3.22Å; T182-I184 VanDerWaalsContact C-N 3.28Å; T182-I184 PolarHBondContact O-N 2.98Å
183	Y	95	Very high	95.4	Very high	46 Å²	46	24.4 Å²	24.4	18%	0.18	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-78.3	-2.9	177.5	-66.5	-39.5	0	0	0	115	V179 E180 Q181 G185 L186 L187 V234 K235	V179-Y183 HydrophobicContact CB-CD2 4.06Å; V179-Y183 HydrophobicContact CG2-CD2 4.47Å; E180-Y183 HydrophobicContact CB-CD2 4.14Å; E180-Y183 HydrophobicContact CB-CE2 4.29Å; E180-Y183 WeakPolarHBondContact O-CB 3.44Å; E180-Y183 PolarHBondContact O-N 2.99Å; Q181-Y183 PolarHBondContact O-N 3.45Å; Q181-Y183 VanDerWaalsContact O-N 3.13Å; Y183-G185 PolarHBondContact O-N 3.06Å; Y183-G185 VanDerWaalsContact O-N 3.1Å; Y183-L186 HydrophobicContact CD1-CD1 3.61Å; Y183-L186 HydrophobicContact CD1-CG 4.49Å; Y183-L186 HydrophobicContact CE1-CD1 4.08Å; Y183-L186 WeakPolarHBondContact O-CA 3.45Å; Y183-L186 WeakPolarHBondContact O-CB 3.44Å; Y183-L186 PolarHBondContact O-N 2.69Å; Y183-L187 PolarHBondContact O-N 3.07Å; Y183-V234 HydrophobicContact CD1-CG1 4.04Å; Y183-V234 HydrophobicContact CD2-CB 3.73Å; Y183-V234 HydrophobicContact CD2-CG1 3.74Å; Y183-V234 HydrophobicContact CE1-CG1 4.48Å; Y183-V234 HydrophobicContact CE2-CB 3.85Å; Y183-V234 HydrophobicContact CE2-CG1 4.21Å; Y183-V234 HydrophobicContact CG-CB 4.15Å; Y183-V234 HydrophobicContact CG-CG1 3.62Å; Y183-K235 WeakPolarHBondContact CE2-O 3.49Å
184	I	94.7	Very high	95.1	Very high	21 Å²	21	23 Å²	23	11%	0.108	12%	0.118	C	C	.	.	H	α-helix	trans	-50.8	-40.8	-179.1	-166.6	70.1	0	0	0	112.9	I132 I144 Q181 T182 L187 A188 V214	I132-I184 HydrophobicContact CG2-CD1 3.69Å; I144-I184 HydrophobicContact CD1-CB 3.92Å; I144-I184 HydrophobicContact CD1-CD1 3.88Å; Q181-I184 WeakPolarHBondContact O-CB 3.31Å; Q181-I184 WeakPolarHBondContact O-CG2 3.44Å; Q181-I184 PolarHBondContact O-N 3.38Å; Q181-I184 VanDerWaalsContact O-N 3.11Å; T182-I184 VanDerWaalsContact C-N 3.28Å; T182-I184 PolarHBondContact O-N 2.98Å; I184-L187 PolarHBondContact O-N 3.49Å; I184-A188 WeakPolarHBondContact O-CB 3.4Å; I184-A188 PolarHBondContact O-N 3.36Å; I184-V214 HydrophobicContact CG1-CG2 4.07Å; I184-V214 HydrophobicContact CG2-CG2 4.4Å
185	G	95.5	Very high	94.7	Very high	12 Å²	12	25.1 Å²	25.1	12%	0.124	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-35	178.1	0	0	0	0	0	113.8	Y183 A188 Q189 S211 E213	Y183-G185 PolarHBondContact O-N 3.06Å; Y183-G185 VanDerWaalsContact O-N 3.1Å; G185-A188 PolarHBondContact O-N 2.98Å; G185-Q189 WeakPolarHBondContact O-CB 3.4Å; G185-Q189 PolarHBondContact O-N 2.96Å; G185-S211 WeakPolarHBondContact CA-OG 3.37Å; G185-E213 WeakPolarHBondContact O-CB 3.4Å
186	L	95.6	Very high	94.4	Very high	48 Å²	48	24.1 Å²	24.1	25%	0.251	13%	0.131	S	C	.	.	H	α-helix	trans	-69.6	-42	175.3	-65.2	-176.4	0	0	0	111.2	Y183 A188 Q189 Q190 K232 V234	Y183-L186 HydrophobicContact CD1-CD1 3.61Å; Y183-L186 HydrophobicContact CD1-CG 4.49Å; Y183-L186 HydrophobicContact CE1-CD1 4.08Å; Y183-L186 WeakPolarHBondContact O-CA 3.45Å; Y183-L186 WeakPolarHBondContact O-CB 3.44Å; Y183-L186 PolarHBondContact O-N 2.69Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-Q189 PolarHBondContact O-N 2.94Å; L186-Q190 WeakPolarHBondContact O-CB 3.25Å; L186-Q190 PolarHBondContact O-N 3.15Å; L186-K232 HydrophobicContact CD2-CD 4.08Å; L186-V234 HydrophobicContact CD1-CG1 4.46Å
187	L	96.1	Very high	94.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-43.3	174.3	-61.4	-176.2	0	0	0	110.4	I132 I144 W146 V179 Y183 I184 Q189 Q190 L191 V234 M247	I132-L187 HydrophobicContact CD1-CB 4.01Å; I132-L187 HydrophobicContact CD1-CD1 3.99Å; I132-L187 HydrophobicContact CG1-CD1 4.46Å; I144-L187 HydrophobicContact CD1-CD1 4.36Å; I144-L187 HydrophobicContact CG2-CD1 4.37Å; W146-L187 HydrophobicContact CB-CD1 4.35Å; W146-L187 HydrophobicContact CD2-CD1 4.14Å; W146-L187 HydrophobicContact CD2-CD2 3.93Å; W146-L187 HydrophobicContact CE3-CD1 4.3Å; W146-L187 HydrophobicContact CE3-CD2 3.55Å; W146-L187 HydrophobicContact CG-CD1 4.16Å; W146-L187 HydrophobicContact CH2-CD2 3.92Å; W146-L187 HydrophobicContact CZ2-CD2 4.23Å; W146-L187 HydrophobicContact CZ3-CD2 3.55Å; V179-L187 HydrophobicContact CG2-CD1 4.41Å; Y183-L187 PolarHBondContact O-N 3.07Å; I184-L187 PolarHBondContact O-N 3.49Å; L187-Q189 PolarHBondContact O-N 2.86Å; L187-Q190 WeakPolarHBondContact O-CB 3.45Å; L187-Q190 PolarHBondContact O-N 2.98Å; L187-L191 WeakPolarHBondContact O-CG 3.5Å; L187-L191 PolarHBondContact O-N 2.95Å; L187-V234 HydrophobicContact CD2-CG1 4.37Å; L187-M247 HydrophobicContact CD2-CE 4.14Å; L187-M247 HydrophobicContact CD2-SD 3.91Å
188	A	95.7	Very high	94	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-45.6	177	0	0	0	0	0	112.1	I184 G185 L186 Q190 L191 R192 E213 V214 L217	I184-A188 WeakPolarHBondContact O-CB 3.4Å; I184-A188 PolarHBondContact O-N 3.36Å; G185-A188 PolarHBondContact O-N 2.98Å; L186-A188 VanDerWaalsContact C-N 3.33Å; A188-Q190 VanDerWaalsContact C-N 3.32Å; A188-Q190 PolarHBondContact O-N 3.35Å; A188-L191 PolarHBondContact O-N 2.87Å; A188-R192 WeakPolarHBondContact O-CG 3.05Å; A188-R192 PolarHBondContact O-N 3.33Å; A188-E213 HydrophobicContact CB-CB 4.2Å; A188-V214 HydrophobicContact CB-CB 4.42Å; A188-V214 HydrophobicContact CB-CG2 3.75Å; A188-L217 HydrophobicContact CB-CB 4.27Å; A188-L217 HydrophobicContact CB-CD2 3.84Å
189	Q	95	Very high	93.8	Very high	31 Å²	31	30.1 Å²	30.1	15%	0.145	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-42.9	175.9	-172.3	170	66.8	0	0	112	G185 L186 L187 L191 R192 Y193 E213 L230	G185-Q189 WeakPolarHBondContact O-CB 3.4Å; G185-Q189 PolarHBondContact O-N 2.96Å; L186-Q189 PolarHBondContact O-N 2.94Å; L187-Q189 PolarHBondContact O-N 2.86Å; Q189-L191 PolarHBondContact O-N 3.36Å; Q189-R192 PolarHBondContact O-N 3.2Å; Q189-Y193 HydrophobicContact CG-CD2 4.21Å; Q189-Y193 HydrophobicContact CG-CE2 4.13Å; Q189-Y193 VanDerWaalsContact O-CD2 3.3Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.41Å; Q189-Y193 PolarHBondContact O-N 3.16Å; Q189-Y193 VanDerWaalsContact O-N 3.07Å; Q189-E213 HydrophobicContact CB-CB 4.14Å; Q189-E213 HydrophobicContact CB-CG 3.82Å; Q189-E213 HydrophobicContact CG-CG 4.22Å; Q189-E213 PolarHBondContact NE2-OE1 3.13Å; Q189-L230 HydrophobicContact CG-CD2 3.72Å
190	Q	93.9	Very high	93.7	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.023	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-46.2	176.9	176.3	66.2	11.5	0	0	111.4	L186 L187 A188 R192 Y193 Q194 M247 F248 S249	L186-Q190 WeakPolarHBondContact O-CB 3.25Å; L186-Q190 PolarHBondContact O-N 3.15Å; L187-Q190 WeakPolarHBondContact O-CB 3.45Å; L187-Q190 PolarHBondContact O-N 2.98Å; A188-Q190 VanDerWaalsContact C-N 3.32Å; A188-Q190 PolarHBondContact O-N 3.35Å; Q190-R192 PolarHBondContact O-N 2.69Å; Q190-Y193 PolarHBondContact O-N 3.12Å; Q190-Q194 WeakPolarHBondContact O-CG 3.49Å; Q190-Q194 PolarHBondContact O-N 3.13Å; Q190-M247 HydrophobicContact CB-SD 4.39Å; Q190-M247 HydrophobicContact CG-CB 4.25Å; Q190-M247 HydrophobicContact CG-SD 4.01Å; Q190-F248 PolarHBondContact NE2-O 2.59Å; Q190-S249 VanDerWaalsContact CD-CB 3.47Å; Q190-S249 PolarHBondContact OE1-OG 2.99Å
191	L	94.5	Very high	93.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42	178.6	-68.6	176.7	0	0	0	112.1	L110 Y112 I132 L187 A188 Q189 Y193 Q194 A195 A196 L217	L110-L191 HydrophobicContact CD2-CD1 3.87Å; Y112-L191 HydrophobicContact CD1-CD1 3.92Å; Y112-L191 HydrophobicContact CD1-CD2 4.06Å; Y112-L191 HydrophobicContact CD2-CD2 3.88Å; Y112-L191 HydrophobicContact CE1-CD1 3.92Å; Y112-L191 HydrophobicContact CE1-CD2 3.8Å; Y112-L191 HydrophobicContact CE2-CD2 3.61Å; Y112-L191 HydrophobicContact CG-CD2 4.1Å; I132-L191 HydrophobicContact CD1-CD1 4.13Å; L187-L191 WeakPolarHBondContact O-CG 3.5Å; L187-L191 PolarHBondContact O-N 2.95Å; A188-L191 PolarHBondContact O-N 2.87Å; Q189-L191 PolarHBondContact O-N 3.36Å; L191-Y193 VanDerWaalsContact C-N 3.34Å; L191-Y193 PolarHBondContact O-N 3.48Å; L191-Q194 CarbonylContact O-C 3.41Å; L191-Q194 PolarHBondContact O-N 2.81Å; L191-A195 PolarHBondContact O-N 3.16Å; L191-A196 HydrophobicContact CB-CB 4.01Å; L191-A196 HydrophobicContact CD2-CB 3.73Å; L191-A196 HydrophobicContact CG-CB 4.43Å; L191-A196 PolarHBondContact O-N 2.72Å; L191-L217 HydrophobicContact CB-CD1 4Å; L191-L217 HydrophobicContact CB-CD2 4.01Å; L191-L217 HydrophobicContact CD1-CD2 3.81Å
192	R	93.4	Very high	93.7	Very high	28 Å²	28	36.6 Å²	36.6	11%	0.106	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-44.2	174.6	-69.7	-178.7	68	-143.5	2.4	112.2	A188 Q189 Q190 Q194 A195 E213 K216 L217 E221 V223	A188-R192 WeakPolarHBondContact O-CG 3.05Å; A188-R192 PolarHBondContact O-N 3.33Å; Q189-R192 PolarHBondContact O-N 3.2Å; Q190-R192 PolarHBondContact O-N 2.69Å; R192-Q194 VanDerWaalsContact C-N 3.28Å; R192-Q194 PolarHBondContact O-N 3.27Å; R192-A195 PolarHBondContact O-N 3.5Å; R192-E213 WeakPolarHBondContact CD-OE2 3.5Å; R192-E213 IonicContact CZ-OE2 3.96Å; R192-E213 IonicContact NE-OE2 2.59Å; R192-E213 IonicContact NH1-OE1 2.73Å; R192-E213 IonicContact NH1-OE2 3.15Å; R192-E213 PolarHBondContact NH1-OE2 3.32Å; R192-K216 VanDerWaalsContact CZ-CB 3.41Å; R192-L217 HydrophobicContact CG-CB 3.84Å; R192-L217 HydrophobicContact CG-CD1 3.79Å; R192-L217 HydrophobicContact CG-CG 4.39Å; R192-E221 PolarHBondContact NE-O 2.98Å; R192-E221 PolarHBondContact NH2-O 2.87Å; R192-E221 IonicContact NH2-OE1 3.73Å; R192-V223 HydrophobicContact CB-CG2 4.16Å
193	Y	92.5	Very high	93.6	Very high	15 Å²	15	32.5 Å²	32.5	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-70.4	-26.7	178.9	-86.5	-117.4	0	0	0	112.6	Q189 Q190 L191 A195 V223 P227 L230 S249 K250 T251	Q189-Y193 HydrophobicContact CG-CD2 4.21Å; Q189-Y193 HydrophobicContact CG-CE2 4.13Å; Q189-Y193 VanDerWaalsContact O-CD2 3.3Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.41Å; Q189-Y193 PolarHBondContact O-N 3.16Å; Q189-Y193 VanDerWaalsContact O-N 3.07Å; Q190-Y193 PolarHBondContact O-N 3.12Å; L191-Y193 VanDerWaalsContact C-N 3.34Å; L191-Y193 PolarHBondContact O-N 3.48Å; Y193-A195 VanDerWaalsContact C-N 3.26Å; Y193-V223 HydrophobicContact CD2-CG2 3.85Å; Y193-V223 HydrophobicContact CE1-CG1 4.36Å; Y193-V223 HydrophobicContact CE2-CB 4.49Å; Y193-V223 HydrophobicContact CE2-CG1 3.91Å; Y193-V223 HydrophobicContact CE2-CG2 3.8Å; Y193-P227 WeakPolarHBondContact CE1-O 3.45Å; Y193-P227 VanDerWaalsContact CZ-O 3.24Å; Y193-P227 PolarHBondContact OH-O 3.11Å; Y193-L230 HydrophobicContact CD1-CB 4.5Å; Y193-L230 HydrophobicContact CD1-CD2 3.52Å; Y193-L230 HydrophobicContact CD1-CG 3.64Å; Y193-L230 HydrophobicContact CD2-CD2 3.5Å; Y193-L230 VanDerWaalsContact CD2-CD2 3.5Å; Y193-L230 HydrophobicContact CD2-CG 4.37Å; Y193-L230 HydrophobicContact CE1-CB 4.38Å; Y193-L230 HydrophobicContact CE1-CD2 3.46Å; Y193-L230 VanDerWaalsContact CE1-CD2 3.46Å; Y193-L230 HydrophobicContact CE1-CG 3.87Å; Y193-L230 HydrophobicContact CE2-CD2 3.42Å; Y193-L230 VanDerWaalsContact CE2-CD2 3.42Å; Y193-L230 HydrophobicContact CG-CD2 3.54Å; Y193-L230 HydrophobicContact CG-CG 3.91Å; Y193-L230 VanDerWaalsContact CZ-CD2 3.41Å; Y193-S249 VanDerWaalsContact CB-CB 3.5Å; Y193-S249 WeakPolarHBondContact CB-OG 3.05Å; Y193-K250 CarbonylContact O-C 3.52Å; Y193-T251 HydrophobicContact CD1-CG2 3.91Å; Y193-T251 HydrophobicContact CE1-CG2 4.26Å; Y193-T251 HydrophobicContact CG-CG2 4.2Å; Y193-T251 WeakPolarHBondContact O-CA 3.49Å; Y193-T251 PolarHBondContact O-N 3.06Å
194	Q	90	Very high	93.3	Very high	43 Å²	43	31.3 Å²	31.3	20%	0.201	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.1	171.1	-69.8	-179.8	-43.8	0	0	113.3	S126 Q190 L191 R192 A196	S126-Q194 WeakPolarHBondContact CB-O 3.09Å; S126-Q194 PolarHBondContact OG-O 3.38Å; Q190-Q194 WeakPolarHBondContact O-CG 3.49Å; Q190-Q194 PolarHBondContact O-N 3.13Å; L191-Q194 CarbonylContact O-C 3.41Å; L191-Q194 PolarHBondContact O-N 2.81Å; R192-Q194 VanDerWaalsContact C-N 3.28Å; R192-Q194 PolarHBondContact O-N 3.27Å; Q194-A196 PolarHBondContact O-N 2.65Å
195	A	89.7	Confident	93.1	Very high	47 Å²	47	33.2 Å²	33.2	39%	0.388	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	37.4	-170.1	0	0	0	0	0	112.2	S126 L191 R192 Y193 L197	S126-A195 VanDerWaalsContact CB-O 3.25Å; S126-A195 WeakPolarHBondContact CB-O 3.45Å; L191-A195 PolarHBondContact O-N 3.16Å; R192-A195 PolarHBondContact O-N 3.5Å; Y193-A195 VanDerWaalsContact C-N 3.26Å; A195-L197 PolarHBondContact O-N 2.9Å
196	A	92.7	Very high	92.7	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.041	19%	0.188	C	C	.	.			trans	-63.3	128.9	-178.4	0	0	0	0	0	109.9	Y112 A128 L191 Q194 V198	Y112-A196 HydrophobicContact CD2-CB 4.09Å; Y112-A196 HydrophobicContact CG-CB 4.42Å; A128-A196 HydrophobicContact CB-CB 4.01Å; L191-A196 HydrophobicContact CB-CB 4.01Å; L191-A196 HydrophobicContact CD2-CB 3.73Å; L191-A196 HydrophobicContact CG-CB 4.43Å; L191-A196 PolarHBondContact O-N 2.72Å; Q194-A196 PolarHBondContact O-N 2.65Å; A196-V198 PolarHBondContact O-N 2.98Å
197	L	93.2	Very high	92.3	Very high	48 Å²	48	33.3 Å²	33.3	25%	0.251	18%	0.178	S	C	.	.			trans	-81	110.2	178.8	-179.7	73.9	0	0	0	110.2	Y112 S113 L122 A195 Y199	Y112-L197 CarbonylContact C-O 3.56Å; Y112-L197 WeakPolarHBondContact CA-O 3.4Å; Y112-L197 VanDerWaalsContact CB-O 3.29Å; Y112-L197 WeakPolarHBondContact CB-O 3.45Å; S113-L197 PolarHBondContact N-O 2.92Å; L122-L197 HydrophobicContact CD1-CD2 4.27Å; L122-L197 HydrophobicContact CD2-CD2 3.1Å; L122-L197 HydrophobicContact CG-CD2 3.82Å; A195-L197 PolarHBondContact O-N 2.9Å; L197-Y199 PolarHBondContact O-N 2.95Å
198	V	94.2	Very high	92.1	Very high	36 Å²	36	35.5 Å²	35.5	22%	0.218	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.4	173.5	-179.1	0	0	0	0	109	L110 A111 A196 Y200 F201 L217	L110-V198 HydrophobicContact CD1-CG1 4.48Å; L110-V198 HydrophobicContact CD1-CG2 4.43Å; L110-V198 HydrophobicContact CD2-CG1 4.36Å; L110-V198 HydrophobicContact CD2-CG2 4.09Å; L110-V198 HydrophobicContact CG-CG1 4.05Å; L110-V198 HydrophobicContact CG-CG2 4.41Å; A111-V198 WeakPolarHBondContact O-CA 3.31Å; A196-V198 PolarHBondContact O-N 2.98Å; V198-Y200 WeakPolarHBondContact CG1-O 3.47Å; V198-F201 HydrophobicContact CG1-CB 4.24Å; V198-F201 HydrophobicContact CG1-CD1 4.04Å; V198-L217 HydrophobicContact CG2-CD1 3.89Å; V198-L217 HydrophobicContact CG2-CD2 4.44Å; V198-L217 HydrophobicContact CG2-CG 4.09Å
199	Y	93.2	Very high	91.9	Very high	51 Å²	51	41.8 Å²	41.8	20%	0.2	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-15.7	178.7	67.3	-95.9	0	0	0	112.9	F87 A111 P116 P117 L155 L197	F87-Y199 HydrophobicContact CZ-CE2 4.4Å; A111-Y199 VanDerWaalsContact C-CE1 3.49Å; A111-Y199 HydrophobicContact CB-CD1 4.4Å; A111-Y199 HydrophobicContact CB-CD2 4.4Å; A111-Y199 HydrophobicContact CB-CE1 3.7Å; A111-Y199 HydrophobicContact CB-CE2 3.68Å; A111-Y199 WeakPolarHBondContact CB-OH 3.32Å; A111-Y199 WeakPolarHBondContact O-CD1 3.48Å; A111-Y199 PolarHBondContact O-N 3.01Å; P116-Y199 HydrophobicContact CB-CD1 3.61Å; P116-Y199 HydrophobicContact CB-CD2 4.2Å; P116-Y199 HydrophobicContact CB-CE1 4.3Å; P116-Y199 HydrophobicContact CB-CG 3.54Å; P117-Y199 HydrophobicContact CG-CE2 4.16Å; L155-Y199 PolarHBondContact O-OH 2.81Å; L197-Y199 PolarHBondContact O-N 2.95Å
200	Y	93.7	Very high	91.6	Very high	53 Å²	53	46.4 Å²	46.4	21%	0.208	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.4	174.6	179.3	-85.5	0	0	0	110.2	F87 T109 A111 R157 V198 Y202	F87-Y200 AromaticContact CE2-CD1 3.58Å; F87-Y200 HydrophobicContact CE2-CD1 3.58Å; F87-Y200 HydrophobicContact CE2-CE1 4.14Å; F87-Y200 HydrophobicContact CE2-CG 4.22Å; F87-Y200 HydrophobicContact CZ-CD1 4.36Å; T109-Y200 VanDerWaalsContact OG1-CE1 3.3Å; T109-Y200 WeakPolarHBondContact OG1-CE1 3.25Å; A111-Y200 PolarHBondContact N-O 3.32Å; A111-Y200 PolarHBondContact O-N 3.24Å; R157-Y200 VanDerWaalsContact NE-CZ 3.29Å; R157-Y200 PolarHBondContact NE-OH 3.35Å; R157-Y200 PolarHBondContact NH1-OH 3.48Å; R157-Y200 PolarHBondContact NH2-OH 3.26Å; V198-Y200 WeakPolarHBondContact CG1-O 3.47Å; Y200-Y202 VanDerWaalsContact OH-CB 3.31Å; Y200-Y202 WeakPolarHBondContact OH-CB 2.98Å
201	F	93.4	Very high	91.7	Very high	85 Å²	85	47 Å²	47	37%	0.373	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.8	163.5	68	-86.7	0	0	0	111.6	T109 L110 V198 L203 V218	T109-F201 CarbonylContact O-C 3.56Å; T109-F201 VanDerWaalsContact O-CA 3.28Å; T109-F201 WeakPolarHBondContact O-CA 3.36Å; L110-F201 HydrophobicContact CB-CB 4.36Å; L110-F201 HydrophobicContact CG-CB 4.28Å; V198-F201 HydrophobicContact CG1-CB 4.24Å; V198-F201 HydrophobicContact CG1-CD1 4.04Å; F201-L203 HydrophobicContact CB-CG 4.45Å; F201-L203 HydrophobicContact CD2-CB 4.5Å; F201-V218 HydrophobicContact CD1-CB 4.43Å; F201-V218 HydrophobicContact CD1-CG1 4.26Å; F201-V218 HydrophobicContact CD2-CB 4.23Å; F201-V218 HydrophobicContact CD2-CG1 3.75Å; F201-V218 HydrophobicContact CE1-CB 4.12Å; F201-V218 HydrophobicContact CE1-CG1 4.42Å; F201-V218 HydrophobicContact CE2-CB 3.91Å; F201-V218 HydrophobicContact CE2-CG1 3.94Å; F201-V218 HydrophobicContact CG-CB 4.49Å; F201-V218 HydrophobicContact CG-CG1 3.93Å; F201-V218 HydrophobicContact CZ-CB 3.85Å; F201-V218 HydrophobicContact CZ-CG1 4.28Å
202	Y	92.4	Very high	91.7	Very high	91 Å²	91	51.8 Å²	51.8	36%	0.357	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	101.1	158.7	173.8	-102.8	0	0	0	107.3	T107 A108 T109 V136 Y200 P204	T107-Y202 WeakPolarHBondContact O-CD1 3.29Å; A108-Y202 CarbonylContact C-O 3.53Å; A108-Y202 VanDerWaalsContact CA-O 3.32Å; A108-Y202 WeakPolarHBondContact CA-O 3.32Å; T109-Y202 PolarHBondContact N-O 3.05Å; T109-Y202 PolarHBondContact O-N 2.93Å; V136-Y202 HydrophobicContact CG2-CE1 4.12Å; Y200-Y202 VanDerWaalsContact OH-CB 3.31Å; Y200-Y202 WeakPolarHBondContact OH-CB 2.98Å; Y202-P204 HydrophobicContact CD1-CG 4.5Å; Y202-P204 HydrophobicContact CE1-CG 3.8Å
203	L	91.2	Very high	91.9	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	26%	0.264	C	S	.	.			trans	-128.7	103.5	178.7	-62.8	-178.9	0	0	0	106.9	A108 L110 F201 Q208 V214 V218	A108-L203 HydrophobicContact CB-CD2 4.05Å; L110-L203 HydrophobicContact CB-CD1 4.45Å; L110-L203 HydrophobicContact CD1-CD1 3.86Å; F201-L203 HydrophobicContact CB-CG 4.45Å; F201-L203 HydrophobicContact CD2-CB 4.5Å; L203-Q208 HydrophobicContact CB-CG 4.19Å; L203-Q208 PolarHBondContact O-NE2 2.92Å; L203-V214 HydrophobicContact CD1-CG1 3.64Å; L203-V218 HydrophobicContact CD1-CG1 3.88Å
204	P	89.8	Confident	92.1	Very high	22 Å²	22	51.8 Å²	51.8	14%	0.143	26%	0.262	C	S	.	.			trans	-56.2	155	179.8	-29.9	39	0	0	0	112.8	V136 Y202 S206 M207 Q208	V136-P204 HydrophobicContact CB-CG 4.49Å; V136-P204 HydrophobicContact CG1-CB 4.33Å; V136-P204 HydrophobicContact CG1-CG 3.77Å; V136-P204 HydrophobicContact CG2-CG 3.89Å; Y202-P204 HydrophobicContact CD1-CG 4.5Å; Y202-P204 HydrophobicContact CE1-CG 3.8Å; P204-S206 PolarHBondContact O-N 2.79Å; P204-S206 VanDerWaalsContact O-N 3.17Å; P204-M207 WeakPolarHBondContact O-CB 3.17Å; P204-M207 PolarHBondContact O-N 2.92Å; P204-Q208 PolarHBondContact O-N 2.91Å; P204-Q208 VanDerWaalsContact O-N 3.14Å
205	A	89.3	Confident	92.4	Very high	61 Å²	61	53.4 Å²	53.4	50%	0.504	27%	0.268	S	S	.	.	H	α-helix	trans	-52.7	-40.5	-178.6	0	0	0	0	0	112.3	M207 Q208 E209	A205-M207 PolarHBondContact O-N 2.92Å; A205-Q208 PolarHBondContact O-N 2.79Å; A205-Q208 VanDerWaalsContact O-N 3.07Å; A205-E209 WeakPolarHBondContact O-CB 3.48Å; A205-E209 VanDerWaalsContact O-CG 3.29Å; A205-E209 WeakPolarHBondContact O-CG 3.44Å; A205-E209 PolarHBondContact O-N 3.02Å
206	S	86.9	Confident	92.6	Very high	55 Å²	55	53.6 Å²	53.6	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-29.4	176.1	58.5	0	0	0	0	114.1	P204 R210	P204-S206 PolarHBondContact O-N 2.79Å; P204-S206 VanDerWaalsContact O-N 3.17Å; S206-R210 WeakPolarHBondContact O-CD 3.24Å; S206-R210 WeakPolarHBondContact O-CG 3.41Å; S206-R210 PolarHBondContact O-NE 2.68Å
207	M	87.5	Confident	92.8	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-81.6	-40.6	173.4	-68	-172.3	74.3	0	0	112	A108 T134 P204 A205 E209 R210	A108-M207 HydrophobicContact CB-CE 3.91Å; A108-M207 HydrophobicContact CB-SD 3.24Å; A108-M207 WeakPolarHBondContact CB-SD 3.4Å; T134-M207 HydrophobicContact CG2-CE 3.84Å; P204-M207 WeakPolarHBondContact O-CB 3.17Å; P204-M207 PolarHBondContact O-N 2.92Å; A205-M207 PolarHBondContact O-N 2.92Å; M207-E209 VanDerWaalsContact C-N 3.32Å; M207-E209 PolarHBondContact O-N 3.03Å; M207-R210 PolarHBondContact O-N 3.26Å
208	Q	92.2	Very high	92.8	Very high	46 Å²	46	52.8 Å²	52.8	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-38.7	178.4	-60.2	-171.3	37.9	0	0	111.3	L203 P204 A205 R210 S211 V214 K215	L203-Q208 HydrophobicContact CB-CG 4.19Å; L203-Q208 PolarHBondContact O-NE2 2.92Å; P204-Q208 PolarHBondContact O-N 2.91Å; P204-Q208 VanDerWaalsContact O-N 3.14Å; A205-Q208 PolarHBondContact O-N 2.79Å; A205-Q208 VanDerWaalsContact O-N 3.07Å; Q208-R210 PolarHBondContact O-N 3.12Å; Q208-S211 CarbonylContact O-C 3.56Å; Q208-S211 PolarHBondContact O-N 3.15Å; Q208-V214 HydrophobicContact CB-CG1 4.47Å; Q208-V214 HydrophobicContact CG-CG1 4.1Å; Q208-K215 HydrophobicContact CB-CG 3.89Å; Q208-K215 VanDerWaalsContact O-CE 3.27Å; Q208-K215 WeakPolarHBondContact O-CE 3.44Å; Q208-K215 WeakPolarHBondContact O-CG 3.28Å
209	E	92	Very high	92.8	Very high	137 Å²	137	54.6 Å²	54.6	64%	0.64	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.1	177.6	-75.7	169.9	-172.4	0	0	113.7	A205 M207 S211	A205-E209 WeakPolarHBondContact O-CB 3.48Å; A205-E209 VanDerWaalsContact O-CG 3.29Å; A205-E209 WeakPolarHBondContact O-CG 3.44Å; A205-E209 PolarHBondContact O-N 3.02Å; M207-E209 VanDerWaalsContact C-N 3.32Å; M207-E209 PolarHBondContact O-N 3.03Å; E209-S211 VanDerWaalsContact C-N 3.28Å; E209-S211 PolarHBondContact O-N 3.12Å
210	R	88.8	Confident	92.6	Very high	129 Å²	129	58 Å²	58	49%	0.487	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.3	176.9	-65.6	168.3	-173.8	153.8	-1	113.3	S206 M207 Q208	S206-R210 WeakPolarHBondContact O-CD 3.24Å; S206-R210 WeakPolarHBondContact O-CG 3.41Å; S206-R210 PolarHBondContact O-NE 2.68Å; M207-R210 PolarHBondContact O-N 3.26Å; Q208-R210 PolarHBondContact O-N 3.12Å
211	S	94.5	Very high	92.5	Very high	18 Å²	18	59.7 Å²	59.7	13%	0.126	31%	0.307	C	S	.	.			trans	-149.2	114.8	-176	-175	0	0	0	0	112.9	G185 Q208 E209 E213 V214 K215	G185-S211 WeakPolarHBondContact CA-OG 3.37Å; Q208-S211 CarbonylContact O-C 3.56Å; Q208-S211 PolarHBondContact O-N 3.15Å; E209-S211 VanDerWaalsContact C-N 3.28Å; E209-S211 PolarHBondContact O-N 3.12Å; S211-E213 PolarHBondContact O-N 3.45Å; S211-E213 PolarHBondContact OG-N 3.19Å; S211-V214 WeakPolarHBondContact O-CB 3.37Å; S211-V214 PolarHBondContact O-N 2.99Å; S211-V214 PolarHBondContact OG-N 3.3Å; S211-K215 PolarHBondContact O-N 3.36Å; S211-K215 VanDerWaalsContact O-N 3.14Å
212	E	96.1	Very high	92	Very high	102 Å²	102	61.2 Å²	61.2	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-32.7	171.1	-170.8	57.9	-158	0	0	112.1	V214 K215 K216	E212-V214 VanDerWaalsContact C-N 3.33Å; E212-V214 PolarHBondContact O-N 3.48Å; E212-K215 PolarHBondContact O-N 3.15Å; E212-K216 HydrophobicContact CG-CD 4.16Å; E212-K216 HydrophobicContact CG-CG 4.48Å; E212-K216 WeakPolarHBondContact O-CB 3.49Å; E212-K216 WeakPolarHBondContact O-CG 3.37Å; E212-K216 PolarHBondContact O-N 2.86Å; E212-K216 WeakPolarHBondContact OE1-CE 3.46Å
213	E	96	Very high	91.7	Very high	39 Å²	39	57.8 Å²	57.8	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-35.5	176.6	-67.3	-68	164.2	0	0	112.2	G185 A188 Q189 R192 S211 L217	G185-E213 WeakPolarHBondContact O-CB 3.4Å; A188-E213 HydrophobicContact CB-CB 4.2Å; Q189-E213 HydrophobicContact CB-CB 4.14Å; Q189-E213 HydrophobicContact CB-CG 3.82Å; Q189-E213 HydrophobicContact CG-CG 4.22Å; Q189-E213 PolarHBondContact NE2-OE1 3.13Å; R192-E213 WeakPolarHBondContact CD-OE2 3.5Å; R192-E213 IonicContact CZ-OE2 3.96Å; R192-E213 IonicContact NE-OE2 2.59Å; R192-E213 IonicContact NH1-OE1 2.73Å; R192-E213 IonicContact NH1-OE2 3.15Å; R192-E213 PolarHBondContact NH1-OE2 3.32Å; S211-E213 PolarHBondContact O-N 3.45Å; S211-E213 PolarHBondContact OG-N 3.19Å; E213-L217 WeakPolarHBondContact O-CB 3.45Å; E213-L217 PolarHBondContact O-N 2.93Å
214	V	96.3	Very high	91.3	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-48.7	173.3	173.7	0	0	0	0	110.5	I184 A188 L203 Q208 S211 E212 K216 L217 V218	I184-V214 HydrophobicContact CG1-CG2 4.07Å; I184-V214 HydrophobicContact CG2-CG2 4.4Å; A188-V214 HydrophobicContact CB-CB 4.42Å; A188-V214 HydrophobicContact CB-CG2 3.75Å; L203-V214 HydrophobicContact CD1-CG1 3.64Å; Q208-V214 HydrophobicContact CB-CG1 4.47Å; Q208-V214 HydrophobicContact CG-CG1 4.1Å; S211-V214 WeakPolarHBondContact O-CB 3.37Å; S211-V214 PolarHBondContact O-N 2.99Å; S211-V214 PolarHBondContact OG-N 3.3Å; E212-V214 VanDerWaalsContact C-N 3.33Å; E212-V214 PolarHBondContact O-N 3.48Å; V214-K216 VanDerWaalsContact C-N 3.3Å; V214-K216 PolarHBondContact O-N 3.08Å; V214-L217 PolarHBondContact O-N 3.46Å; V214-L217 VanDerWaalsContact O-N 3.15Å; V214-V218 WeakPolarHBondContact O-CG2 3.48Å; V214-V218 PolarHBondContact O-N 3.13Å
215	K	96.4	Very high	90.9	Very high	77 Å²	77	66.8 Å²	66.8	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-54.3	-48.4	176.2	-72.7	178.2	-177	176.2	0	111.4	Q208 S211 E212 L217 V218 A219	Q208-K215 HydrophobicContact CB-CG 3.89Å; Q208-K215 VanDerWaalsContact O-CE 3.27Å; Q208-K215 WeakPolarHBondContact O-CE 3.44Å; Q208-K215 WeakPolarHBondContact O-CG 3.28Å; S211-K215 PolarHBondContact O-N 3.36Å; S211-K215 VanDerWaalsContact O-N 3.14Å; E212-K215 PolarHBondContact O-N 3.15Å; K215-L217 VanDerWaalsContact C-N 3.33Å; K215-L217 PolarHBondContact O-N 3.29Å; K215-V218 VanDerWaalsContact O-CG2 3.28Å; K215-V218 WeakPolarHBondContact O-CG2 2.74Å; K215-V218 PolarHBondContact O-N 3.11Å; K215-A219 VanDerWaalsContact O-CB 3.24Å; K215-A219 WeakPolarHBondContact O-CB 3.49Å; K215-A219 PolarHBondContact O-N 3.07Å
216	K	95.5	Very high	90.6	Very high	52 Å²	52	68 Å²	68	23%	0.226	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-34.7	179.9	-71.1	-178.8	172.5	177.7	0	113	R192 E212 V214 N220 E221	R192-K216 VanDerWaalsContact CZ-CB 3.41Å; E212-K216 HydrophobicContact CG-CD 4.16Å; E212-K216 HydrophobicContact CG-CG 4.48Å; E212-K216 WeakPolarHBondContact O-CB 3.49Å; E212-K216 WeakPolarHBondContact O-CG 3.37Å; E212-K216 PolarHBondContact O-N 2.86Å; E212-K216 WeakPolarHBondContact OE1-CE 3.46Å; V214-K216 VanDerWaalsContact C-N 3.3Å; V214-K216 PolarHBondContact O-N 3.08Å; K216-N220 PolarHBondContact O-N 3.48Å; K216-E221 HydrophobicContact CB-CB 4.09Å; K216-E221 WeakPolarHBondContact CD-OE1 3.26Å; K216-E221 WeakPolarHBondContact CE-OE1 3.13Å; K216-E221 HydrophobicContact CG-CB 4.32Å; K216-E221 WeakPolarHBondContact CG-OE2 3.47Å; K216-E221 IonicContact NZ-OE1 3.74Å; K216-E221 PolarHBondContact O-N 2.76Å
217	L	95.3	Very high	90.7	Very high	9 Å²	9	69.2 Å²	69.2	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-49.9	176	177.7	62.1	0	0	0	111.1	L110 A188 L191 R192 V198 E213 V214 K215 A219 N220	L110-L217 HydrophobicContact CD1-CD2 3.6Å; L110-L217 HydrophobicContact CD1-CG 4.32Å; A188-L217 HydrophobicContact CB-CB 4.27Å; A188-L217 HydrophobicContact CB-CD2 3.84Å; L191-L217 HydrophobicContact CB-CD1 4Å; L191-L217 HydrophobicContact CB-CD2 4.01Å; L191-L217 HydrophobicContact CD1-CD2 3.81Å; R192-L217 HydrophobicContact CG-CB 3.84Å; R192-L217 HydrophobicContact CG-CD1 3.79Å; R192-L217 HydrophobicContact CG-CG 4.39Å; V198-L217 HydrophobicContact CG2-CD1 3.89Å; V198-L217 HydrophobicContact CG2-CD2 4.44Å; V198-L217 HydrophobicContact CG2-CG 4.09Å; E213-L217 WeakPolarHBondContact O-CB 3.45Å; E213-L217 PolarHBondContact O-N 2.93Å; V214-L217 PolarHBondContact O-N 3.46Å; V214-L217 VanDerWaalsContact O-N 3.15Å; K215-L217 VanDerWaalsContact C-N 3.33Å; K215-L217 PolarHBondContact O-N 3.29Å; L217-A219 VanDerWaalsContact C-N 3.31Å; L217-A219 PolarHBondContact O-N 3.4Å; L217-N220 WeakPolarHBondContact O-CA 3.07Å; L217-N220 PolarHBondContact O-N 3.26Å
218	V	93.8	Very high	90.7	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.158	37%	0.365	C	S	.	.	H	α-helix	trans	-70.2	-28.5	-178.8	-60	0	0	0	0	112.8	F201 L203 V214 K215 N220	F201-V218 HydrophobicContact CD1-CB 4.43Å; F201-V218 HydrophobicContact CD1-CG1 4.26Å; F201-V218 HydrophobicContact CD2-CB 4.23Å; F201-V218 HydrophobicContact CD2-CG1 3.75Å; F201-V218 HydrophobicContact CE1-CB 4.12Å; F201-V218 HydrophobicContact CE1-CG1 4.42Å; F201-V218 HydrophobicContact CE2-CB 3.91Å; F201-V218 HydrophobicContact CE2-CG1 3.94Å; F201-V218 HydrophobicContact CG-CB 4.49Å; F201-V218 HydrophobicContact CG-CG1 3.93Å; F201-V218 HydrophobicContact CZ-CB 3.85Å; F201-V218 HydrophobicContact CZ-CG1 4.28Å; L203-V218 HydrophobicContact CD1-CG1 3.88Å; V214-V218 WeakPolarHBondContact O-CG2 3.48Å; V214-V218 PolarHBondContact O-N 3.13Å; K215-V218 VanDerWaalsContact O-CG2 3.28Å; K215-V218 WeakPolarHBondContact O-CG2 2.74Å; K215-V218 PolarHBondContact O-N 3.11Å; V218-N220 PolarHBondContact O-N 3.05Å
219	A	93.9	Very high	90.5	Very high	74 Å²	74	70.9 Å²	70.9	61%	0.612	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.5	170.7	0	0	0	0	0	113.4	K215 L217 E221	K215-A219 VanDerWaalsContact O-CB 3.24Å; K215-A219 WeakPolarHBondContact O-CB 3.49Å; K215-A219 PolarHBondContact O-N 3.07Å; L217-A219 VanDerWaalsContact C-N 3.31Å; L217-A219 PolarHBondContact O-N 3.4Å; A219-E221 PolarHBondContact O-N 3.13Å
220	N	90.2	Very high	90.3	Very high	122 Å²	122	65.4 Å²	65.4	65%	0.652	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.7	-175.4	-164.3	32.1	0	0	0	113.2	K216 L217 V218 I222	K216-N220 PolarHBondContact O-N 3.48Å; L217-N220 WeakPolarHBondContact O-CA 3.07Å; L217-N220 PolarHBondContact O-N 3.26Å; V218-N220 PolarHBondContact O-N 3.05Å; N220-I222 PolarHBondContact O-N 3.2Å
221	E	90.4	Very high	90.4	Very high	90 Å²	90	62.6 Å²	62.6	42%	0.421	35%	0.35	S	S	.	.			trans	-74.7	117.3	-179.5	-171.4	-168.3	119.5	0	0	110.7	R192 K216 A219	R192-E221 PolarHBondContact NE-O 2.98Å; R192-E221 PolarHBondContact NH2-O 2.87Å; R192-E221 IonicContact NH2-OE1 3.73Å; K216-E221 HydrophobicContact CB-CB 4.09Å; K216-E221 WeakPolarHBondContact CD-OE1 3.26Å; K216-E221 WeakPolarHBondContact CE-OE1 3.13Å; K216-E221 HydrophobicContact CG-CB 4.32Å; K216-E221 WeakPolarHBondContact CG-OE2 3.47Å; K216-E221 IonicContact NZ-OE1 3.74Å; K216-E221 PolarHBondContact O-N 2.76Å; A219-E221 PolarHBondContact O-N 3.13Å
222	I	83.9	Confident	90.3	Very high	117 Å²	117	64.9 Å²	64.9	60%	0.6	36%	0.357	S	S	*	.			trans	-66.6	140.5	179.9	54.8	161.8	0	0	0	113	N220 I224	N220-I222 PolarHBondContact O-N 3.2Å; I222-I224 HydrophobicContact CB-CG2 4.45Å; I222-I224 HydrophobicContact CD1-CG2 3.44Å; I222-I224 VanDerWaalsContact CD1-CG2 3.44Å; I222-I224 HydrophobicContact CG1-CG2 3.71Å; I222-I224 PolarHBondContact O-N 3Å; I222-I224 VanDerWaalsContact O-N 3.17Å
223	V	86.6	Confident	90.1	Very high	19 Å²	19	62 Å²	62	12%	0.115	35%	0.349	C	S	.	.			trans	-77.6	103.1	174.5	-178.4	0	0	0	0	109.7	R192 Y193 T251	R192-V223 HydrophobicContact CB-CG2 4.16Å; Y193-V223 HydrophobicContact CD2-CG2 3.85Å; Y193-V223 HydrophobicContact CE1-CG1 4.36Å; Y193-V223 HydrophobicContact CE2-CB 4.49Å; Y193-V223 HydrophobicContact CE2-CG1 3.91Å; Y193-V223 HydrophobicContact CE2-CG2 3.8Å; V223-T251 HydrophobicContact CB-CG2 3.7Å; V223-T251 HydrophobicContact CG1-CG2 3.76Å; V223-T251 HydrophobicContact CG2-CG2 4.34Å
224	I	81.2	Confident	90	Very high	93 Å²	93	60.2 Å²	60.2	48%	0.477	34%	0.34	S	S	.	.			trans	-105.9	-20.1	-178.2	58.7	169.5	0	0	0	114.5	I222 F228	I222-I224 HydrophobicContact CB-CG2 4.45Å; I222-I224 HydrophobicContact CD1-CG2 3.44Å; I222-I224 VanDerWaalsContact CD1-CG2 3.44Å; I222-I224 HydrophobicContact CG1-CG2 3.71Å; I222-I224 PolarHBondContact O-N 3Å; I222-I224 VanDerWaalsContact O-N 3.17Å; I224-F228 WeakPolarHBondContact O-CE1 3.41Å; I224-F228 WeakPolarHBondContact O-CZ 3.31Å
225	L	82.1	Confident	90	Very high	127 Å²	127	64 Å²	64	67%	0.665	36%	0.356	S	S	*	.	S	Bend	trans	-103.5	147.9	179.2	-62.9	179.7	0	0	0	111.3	F228	L225-F228 VanDerWaalsContact O-CE1 3.32Å; L225-F228 WeakPolarHBondContact O-CE1 3.38Å
226	P	82.5	Confident	89.9	Confident	86 Å²	86	60.3 Å²	60.3	56%	0.558	34%	0.34	S	S	*	.	S	Bend	trans	-64.3	154.9	173.9	28.3	-35	0	0	0	111.9
227	P	88.6	Confident	89.8	Confident	80 Å²	80	60.3 Å²	60.3	52%	0.519	35%	0.345	S	S	.	.	P	Polyproline II helix	cis	-74	151.6	3.7	30.9	-35	0	0	0	112.7	Y193	Y193-P227 WeakPolarHBondContact CE1-O 3.45Å; Y193-P227 VanDerWaalsContact CZ-O 3.24Å; Y193-P227 PolarHBondContact OH-O 3.11Å
228	F	87.7	Confident	89.5	Confident	31 Å²	31	61 Å²	61	14%	0.136	35%	0.352	C	S	.	.			trans	-102.6	0.8	178.7	-65.3	-38.3	0	0	0	113.7	I224 L225 K250 T251 R257	I224-F228 WeakPolarHBondContact O-CE1 3.41Å; I224-F228 WeakPolarHBondContact O-CZ 3.31Å; L225-F228 VanDerWaalsContact O-CE1 3.32Å; L225-F228 WeakPolarHBondContact O-CE1 3.38Å; F228-K250 CarbonylContact O-C 3.57Å; F228-K250 VanDerWaalsContact O-CA 3.29Å; F228-K250 WeakPolarHBondContact O-CA 3.27Å; F228-T251 WeakPolarHBondContact CB-OG1 3.37Å; F228-T251 PolarHBondContact O-N 2.73Å; F228-T251 PolarHBondContact O-OG1 3.13Å; F228-R257 VanDerWaalsContact CD2-CZ 3.42Å
229	A	88	Confident	88.9	Confident	58 Å²	58	66.4 Å²	66.4	48%	0.479	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145.6	172.6	0	0	0	0	0	107.8	S249 K250	A229-S249 CarbonylContact C-O 3.46Å; A229-S249 WeakPolarHBondContact CA-O 3.49Å; A229-K250 HydrophobicContact CB-CB 3.94Å
230	L	89	Confident	88.3	Confident	22 Å²	22	67.6 Å²	67.6	12%	0.115	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.7	179.3	57.1	83.5	0	0	0	111.2	Q189 Y193 K232 S249	Q189-L230 HydrophobicContact CG-CD2 3.72Å; Y193-L230 HydrophobicContact CD1-CB 4.5Å; Y193-L230 HydrophobicContact CD1-CD2 3.52Å; Y193-L230 HydrophobicContact CD1-CG 3.64Å; Y193-L230 HydrophobicContact CD2-CD2 3.5Å; Y193-L230 VanDerWaalsContact CD2-CD2 3.5Å; Y193-L230 HydrophobicContact CD2-CG 4.37Å; Y193-L230 HydrophobicContact CE1-CB 4.38Å; Y193-L230 HydrophobicContact CE1-CD2 3.46Å; Y193-L230 VanDerWaalsContact CE1-CD2 3.46Å; Y193-L230 HydrophobicContact CE1-CG 3.87Å; Y193-L230 HydrophobicContact CE2-CD2 3.42Å; Y193-L230 VanDerWaalsContact CE2-CD2 3.42Å; Y193-L230 HydrophobicContact CG-CD2 3.54Å; Y193-L230 HydrophobicContact CG-CG 3.91Å; Y193-L230 VanDerWaalsContact CZ-CD2 3.41Å; L230-K232 HydrophobicContact CD1-CG 3.75Å; L230-S249 WeakPolarHBondContact CD1-OG 3.2Å; L230-S249 WeakPolarHBondContact CG-OG 3.04Å; L230-S249 PolarHBondContact N-O 2.8Å; L230-S249 PolarHBondContact O-N 2.97Å
231	T	90.9	Very high	87.8	Confident	69 Å²	69	64 Å²	64	42%	0.423	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.1	171.3	-53.8	0	0	0	0	107.1	M247 F248	T231-M247 CarbonylContact C-O 3.55Å; T231-M247 VanDerWaalsContact CA-O 3.29Å; T231-M247 WeakPolarHBondContact CA-O 3.28Å; T231-F248 HydrophobicContact CG2-CD1 3.72Å; T231-F248 HydrophobicContact CG2-CE1 3.37Å; T231-F248 HydrophobicContact CG2-CG 4.48Å; T231-F248 HydrophobicContact CG2-CZ 3.87Å; T231-F248 WeakPolarHBondContact OG1-CD1 3.36Å; T231-F248 VanDerWaalsContact OG1-CE1 3.31Å; T231-F248 WeakPolarHBondContact OG1-CE1 3.3Å
232	K	91.8	Very high	87.6	Confident	67 Å²	67	63.9 Å²	63.9	29%	0.291	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.9	175.9	-65.9	-65.2	-173.6	171.3	0	109.4	L186 L230 R246 M247	L186-K232 HydrophobicContact CD2-CD 4.08Å; L230-K232 HydrophobicContact CD1-CG 3.75Å; K232-R246 CarbonylContact O-C 3.56Å; K232-R246 WeakPolarHBondContact O-CA 3.49Å; K232-M247 HydrophobicContact CB-CE 3.92Å; K232-M247 PolarHBondContact N-O 3.2Å; K232-M247 PolarHBondContact O-N 2.8Å
233	S	92.8	Very high	87.9	Confident	42 Å²	42	60.2 Å²	60.2	29%	0.294	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.7	173	-62	0	0	0	0	109.2	E244 I245 R246	S233-E244 WeakPolarHBondContact CB-OE1 3.35Å; S233-E244 PolarHBondContact OG-OE1 2.86Å; S233-I245 VanDerWaalsContact CA-O 3.26Å; S233-I245 WeakPolarHBondContact CA-O 3.38Å; S233-R246 WeakPolarHBondContact OG-CG 3.22Å
234	V	93.6	Very high	88.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.4	163	-66	0	0	0	0	108	W146 V179 Y183 L186 L187 E244 I245 M247	W146-V234 HydrophobicContact CZ3-CG2 4.43Å; V179-V234 HydrophobicContact CG1-CG2 4.25Å; Y183-V234 HydrophobicContact CD1-CG1 4.04Å; Y183-V234 HydrophobicContact CD2-CB 3.73Å; Y183-V234 HydrophobicContact CD2-CG1 3.74Å; Y183-V234 HydrophobicContact CE1-CG1 4.48Å; Y183-V234 HydrophobicContact CE2-CB 3.85Å; Y183-V234 HydrophobicContact CE2-CG1 4.21Å; Y183-V234 HydrophobicContact CG-CB 4.15Å; Y183-V234 HydrophobicContact CG-CG1 3.62Å; L186-V234 HydrophobicContact CD1-CG1 4.46Å; L187-V234 HydrophobicContact CD2-CG1 4.37Å; V234-E244 WeakPolarHBondContact O-CA 3.37Å; V234-I245 HydrophobicContact CG2-CB 3.99Å; V234-I245 HydrophobicContact CG2-CD1 4.42Å; V234-I245 PolarHBondContact N-O 2.88Å; V234-I245 PolarHBondContact O-N 2.82Å; V234-M247 HydrophobicContact CB-CE 4.44Å; V234-M247 HydrophobicContact CG1-CE 3.64Å; V234-M247 HydrophobicContact CG2-CE 4.14Å
235	K	94.8	Very high	88.7	Confident	82 Å²	82	60.4 Å²	60.4	36%	0.357	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.9	173.9	-57.6	-165.9	-174.5	179.3	0	110.1	Y183 Q242 I243 E244	Y183-K235 WeakPolarHBondContact CE2-O 3.49Å; K235-Q242 VanDerWaalsContact CB-CD 3.49Å; K235-Q242 HydrophobicContact CB-CG 3.75Å; K235-Q242 VanDerWaalsContact CD-CD 3.45Å; K235-Q242 HydrophobicContact CD-CG 4.12Å; K235-Q242 HydrophobicContact CG-CG 4.46Å; K235-I243 VanDerWaalsContact CA-O 3.32Å; K235-I243 WeakPolarHBondContact CA-O 3.41Å; K235-E244 HydrophobicContact CG-CB 4.38Å; K235-E244 HydrophobicContact CG-CG 4.35Å
236	T	95.7	Very high	89.2	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-72.1	166.9	171.3	63.5	0	0	0	0	111	D41 L177 T178 Q242 I243 I245	D41-T236 VanDerWaalsContact OD1-CB 3.3Å; D41-T236 WeakPolarHBondContact OD1-CB 2.79Å; D41-T236 WeakPolarHBondContact OD2-CB 3.31Å; D41-T236 PolarHBondContact OD2-OG1 2.79Å; L177-T236 HydrophobicContact CD2-CG2 4.25Å; T178-T236 CarbonylContact O-C 3.52Å; T178-T236 WeakPolarHBondContact O-CA 3.38Å; T178-T236 WeakPolarHBondContact O-CB 3.41Å; T236-Q242 VanDerWaalsContact O-CG 3.32Å; T236-Q242 WeakPolarHBondContact O-CG 3.31Å; T236-Q242 PolarHBondContact O-NE2 3.17Å; T236-I243 HydrophobicContact CG2-CB 4.18Å; T236-I243 PolarHBondContact N-O 3.2Å; T236-I243 PolarHBondContact OG1-N 3.25Å; T236-I245 HydrophobicContact CG2-CD1 3.6Å
237	T	93	Very high	89.6	Confident	52 Å²	52	57.4 Å²	57.4	32%	0.319	32%	0.317	S	S	.	.	S	Bend	trans	-84	-17.2	-172.3	52.1	0	0	0	0	115	D41 A143 T178 E180 T239	D41-T237 PolarHBondContact OD1-N 2.89Å; D41-T237 PolarHBondContact OD1-OG1 2.84Å; D41-T237 VanDerWaalsContact OD1-OG1 3.07Å; A143-T237 HydrophobicContact CB-CG2 4.27Å; T178-T237 HydrophobicContact CG2-CG2 4.07Å; T178-T237 VanDerWaalsContact CG2-OG1 3.3Å; T178-T237 WeakPolarHBondContact CG2-OG1 3.35Å; T178-T237 PolarHBondContact O-N 2.89Å; T178-T237 VanDerWaalsContact O-N 3.11Å; E180-T237 HydrophobicContact CG-CG2 4.29Å; T237-T239 PolarHBondContact O-N 3.48Å
238	A	88.7	Confident	89.6	Confident	25 Å²	25	58.1 Å²	58.1	21%	0.207	31%	0.312	C	S	.	.			trans	-60.5	126.2	-177.8	0	0	0	0	0	111.6	D41 Q242	D41-A238 HydrophobicContact CB-CB 3.81Å; D41-A238 PolarHBondContact OD1-N 2.93Å; D41-A238 VanDerWaalsContact OD2-CB 3.31Å; D41-A238 WeakPolarHBondContact OD2-CB 3.3Å; A238-Q242 WeakPolarHBondContact O-CA 3.32Å; A238-Q242 VanDerWaalsContact O-CB 3.25Å; A238-Q242 WeakPolarHBondContact O-CB 3.32Å; A238-Q242 PolarHBondContact O-N 3.1Å
239	T	82.5	Confident	89.6	Confident	139 Å²	139	57.2 Å²	57.2	85%	0.853	31%	0.31	S	S	*	.	S	Bend	trans	-74.8	-33	-178.2	51.4	0	0	0	0	113.2	T237	T237-T239 PolarHBondContact O-N 3.48Å
240	T	79.9	Confident	89.4	Confident	98 Å²	98	58.8 Å²	58.8	60%	0.601	31%	0.306	S	S	*	.	S	Bend	trans	-92.4	-20.4	-174.5	52.2	0	0	0	0	113.8
241	S	80.1	Confident	89.2	Confident	47 Å²	47	58.2 Å²	58.2	33%	0.329	30%	0.303	S	S	.	.	S	Bend	trans	-149.2	47.4	-175	-60.5	0	0	0	0	111.4	I243	S241-I243 PolarHBondContact O-N 3.04Å
242	Q	86.8	Confident	88.4	Confident	87 Å²	87	57.1 Å²	57.1	41%	0.407	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-58.1	131.3	177.7	-170.2	165.3	66.2	0	0	111.2	K235 T236 A238	K235-Q242 VanDerWaalsContact CB-CD 3.49Å; K235-Q242 HydrophobicContact CB-CG 3.75Å; K235-Q242 VanDerWaalsContact CD-CD 3.45Å; K235-Q242 HydrophobicContact CD-CG 4.12Å; K235-Q242 HydrophobicContact CG-CG 4.46Å; T236-Q242 VanDerWaalsContact O-CG 3.32Å; T236-Q242 WeakPolarHBondContact O-CG 3.31Å; T236-Q242 PolarHBondContact O-NE2 3.17Å; A238-Q242 WeakPolarHBondContact O-CA 3.32Å; A238-Q242 VanDerWaalsContact O-CB 3.25Å; A238-Q242 WeakPolarHBondContact O-CB 3.32Å; A238-Q242 PolarHBondContact O-N 3.1Å
243	I	89.1	Confident	87.2	Confident	41 Å²	41	57.9 Å²	57.9	21%	0.21	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-103.8	134.1	171.9	-60.7	-170.5	0	0	0	109.2	W42 K235 T236 S241 I245	W42-I243 HydrophobicContact CD2-CD1 4.34Å; W42-I243 HydrophobicContact CG-CD1 4.43Å; W42-I243 HydrophobicContact CZ2-CD1 3.99Å; K235-I243 VanDerWaalsContact CA-O 3.32Å; K235-I243 WeakPolarHBondContact CA-O 3.41Å; T236-I243 HydrophobicContact CG2-CB 4.18Å; T236-I243 PolarHBondContact N-O 3.2Å; T236-I243 PolarHBondContact OG1-N 3.25Å; S241-I243 PolarHBondContact O-N 3.04Å; I243-I245 HydrophobicContact CG2-CD1 4.22Å; I243-I245 HydrophobicContact CG2-CG1 4.41Å
244	E	92.7	Very high	85.5	Confident	103 Å²	103	57 Å²	57	48%	0.481	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.3	168.1	-174.1	-178.8	157.6	0	0	110.4	S233 V234 K235	S233-E244 WeakPolarHBondContact CB-OE1 3.35Å; S233-E244 PolarHBondContact OG-OE1 2.86Å; V234-E244 WeakPolarHBondContact O-CA 3.37Å; K235-E244 HydrophobicContact CG-CB 4.38Å; K235-E244 HydrophobicContact CG-CG 4.35Å
245	I	92.1	Very high	83.7	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.062	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.6	175.7	-59.1	92.3	0	0	0	108.7	L177 S233 V234 T236 I243 M247	L177-I245 HydrophobicContact CD1-CB 4.4Å; L177-I245 HydrophobicContact CD1-CD1 3.95Å; L177-I245 HydrophobicContact CD1-CG1 3.79Å; L177-I245 HydrophobicContact CD1-CG2 4.27Å; L177-I245 HydrophobicContact CD2-CD1 3.93Å; L177-I245 HydrophobicContact CD2-CG1 4.14Å; L177-I245 HydrophobicContact CG-CD1 4.48Å; S233-I245 VanDerWaalsContact CA-O 3.26Å; S233-I245 WeakPolarHBondContact CA-O 3.38Å; V234-I245 HydrophobicContact CG2-CB 3.99Å; V234-I245 HydrophobicContact CG2-CD1 4.42Å; V234-I245 PolarHBondContact N-O 2.88Å; V234-I245 PolarHBondContact O-N 2.82Å; T236-I245 HydrophobicContact CG2-CD1 3.6Å; I243-I245 HydrophobicContact CG2-CD1 4.22Å; I243-I245 HydrophobicContact CG2-CG1 4.41Å; I245-M247 HydrophobicContact CG2-CG 4.34Å
246	R	93.4	Very high	81.7	Confident	140 Å²	140	65.2 Å²	65.2	53%	0.528	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	111.8	175	-65.5	-178.8	68.2	-142.4	4.5	110.4	K232 S233 F248	K232-R246 CarbonylContact O-C 3.56Å; K232-R246 WeakPolarHBondContact O-CA 3.49Å; S233-R246 WeakPolarHBondContact OG-CG 3.22Å; R246-F248 HydrophobicContact CB-CE2 4.1Å; R246-F248 HydrophobicContact CB-CZ 4.45Å
247	M	90.6	Very high	79.6	Confident	11 Å²	11	70.3 Å²	70.3	5%	0.054	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136	177.5	-58.4	173.9	-74.5	0	0	110.6	W146 L187 Q190 T231 K232 V234 I245	W146-M247 HydrophobicContact CH2-CG 4.1Å; W146-M247 HydrophobicContact CH2-SD 3.32Å; W146-M247 WeakPolarHBondContact CH2-SD 3.41Å; W146-M247 HydrophobicContact CZ2-SD 4.38Å; W146-M247 HydrophobicContact CZ3-CG 4.43Å; W146-M247 HydrophobicContact CZ3-SD 3.6Å; W146-M247 VanDerWaalsContact CZ3-SD 3.6Å; L187-M247 HydrophobicContact CD2-CE 4.14Å; L187-M247 HydrophobicContact CD2-SD 3.91Å; Q190-M247 HydrophobicContact CB-SD 4.39Å; Q190-M247 HydrophobicContact CG-CB 4.25Å; Q190-M247 HydrophobicContact CG-SD 4.01Å; T231-M247 CarbonylContact C-O 3.55Å; T231-M247 VanDerWaalsContact CA-O 3.29Å; T231-M247 WeakPolarHBondContact CA-O 3.28Å; K232-M247 HydrophobicContact CB-CE 3.92Å; K232-M247 PolarHBondContact N-O 3.2Å; K232-M247 PolarHBondContact O-N 2.8Å; V234-M247 HydrophobicContact CB-CE 4.44Å; V234-M247 HydrophobicContact CG1-CE 3.64Å; V234-M247 HydrophobicContact CG2-CE 4.14Å; I245-M247 HydrophobicContact CG2-CG 4.34Å
248	F	88.7	Confident	77.8	Confident	95 Å²	95	75.9 Å²	75.9	42%	0.417	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.6	173.8	-59.7	-91.7	0	0	0	109	Q190 T231 R246	Q190-F248 PolarHBondContact NE2-O 2.59Å; T231-F248 HydrophobicContact CG2-CD1 3.72Å; T231-F248 HydrophobicContact CG2-CE1 3.37Å; T231-F248 HydrophobicContact CG2-CG 4.48Å; T231-F248 HydrophobicContact CG2-CZ 3.87Å; T231-F248 WeakPolarHBondContact OG1-CD1 3.36Å; T231-F248 VanDerWaalsContact OG1-CE1 3.31Å; T231-F248 WeakPolarHBondContact OG1-CE1 3.3Å; R246-F248 HydrophobicContact CB-CE2 4.1Å; R246-F248 HydrophobicContact CB-CZ 4.45Å
249	S	86.9	Confident	76.2	Confident	11 Å²	11	80.9 Å²	80.9	8%	0.077	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.8	174.4	51.9	0	0	0	0	111.8	Q190 Y193 A229 L230	Q190-S249 VanDerWaalsContact CD-CB 3.47Å; Q190-S249 PolarHBondContact OE1-OG 2.99Å; Y193-S249 VanDerWaalsContact CB-CB 3.5Å; Y193-S249 WeakPolarHBondContact CB-OG 3.05Å; A229-S249 CarbonylContact C-O 3.46Å; A229-S249 WeakPolarHBondContact CA-O 3.49Å; L230-S249 WeakPolarHBondContact CD1-OG 3.2Å; L230-S249 WeakPolarHBondContact CG-OG 3.04Å; L230-S249 PolarHBondContact N-O 2.8Å; L230-S249 PolarHBondContact O-N 2.97Å
250	K	85	Confident	74.7	Confident	92 Å²	92	81.8 Å²	81.8	40%	0.4	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	137.5	176.9	70.9	-171.9	176.9	-171.3	0	109.6	Y193 F228 A229	Y193-K250 CarbonylContact O-C 3.52Å; F228-K250 CarbonylContact O-C 3.57Å; F228-K250 VanDerWaalsContact O-CA 3.29Å; F228-K250 WeakPolarHBondContact O-CA 3.27Å; A229-K250 HydrophobicContact CB-CB 3.94Å
251	T	83.8	Confident	73.7	Confident	10 Å²	10	83.5 Å²	83.5	6%	0.061	38%	0.382	C	S	.	.			trans	-69.6	156.6	176.4	65.3	0	0	0	0	110.8	Y193 V223 F228 K253 S254	Y193-T251 HydrophobicContact CD1-CG2 3.91Å; Y193-T251 HydrophobicContact CE1-CG2 4.26Å; Y193-T251 HydrophobicContact CG-CG2 4.2Å; Y193-T251 WeakPolarHBondContact O-CA 3.49Å; Y193-T251 PolarHBondContact O-N 3.06Å; V223-T251 HydrophobicContact CB-CG2 3.7Å; V223-T251 HydrophobicContact CG1-CG2 3.76Å; V223-T251 HydrophobicContact CG2-CG2 4.34Å; F228-T251 WeakPolarHBondContact CB-OG1 3.37Å; F228-T251 PolarHBondContact O-N 2.73Å; F228-T251 PolarHBondContact O-OG1 3.13Å; T251-K253 PolarHBondContact O-N 2.77Å; T251-S254 VanDerWaalsContact O-CB 3.23Å; T251-S254 WeakPolarHBondContact O-CB 2.95Å; T251-S254 PolarHBondContact O-N 2.83Å; T251-S254 PolarHBondContact O-OG 3.25Å; T251-S254 PolarHBondContact OG1-N 3.24Å
252	A	73.8	Confident	72.7	Confident	45 Å²	45	87.8 Å²	87.8	37%	0.372	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.8	172	0	0	0	0	0	112	S254 K255	A252-S254 PolarHBondContact O-N 3.11Å; A252-K255 VanDerWaalsContact O-CB 3.24Å; A252-K255 WeakPolarHBondContact O-CB 3.48Å; A252-K255 PolarHBondContact O-N 2.72Å
253	K	66.5	Low	71.3	Confident	83 Å²	83	87.9 Å²	87.9	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-22.8	175.1	-66.4	-162	174.8	-179.6	0	113.8	T251 K255 M256 R257	T251-K253 PolarHBondContact O-N 2.77Å; K253-K255 PolarHBondContact O-N 3.17Å; K253-M256 HydrophobicContact CB-CE 4.27Å; K253-M256 HydrophobicContact CD-CE 4.17Å; K253-M256 HydrophobicContact CG-CE 3.79Å; K253-M256 CarbonylContact O-C 3.52Å; K253-M256 WeakPolarHBondContact O-CA 3.3Å; K253-M256 WeakPolarHBondContact O-CB 3.2Å; K253-M256 PolarHBondContact O-N 3.07Å; K253-R257 PolarHBondContact O-N 2.87Å
254	S	57.6	Low	70.2	Confident	24 Å²	24	88 Å²	88	17%	0.168	40%	0.397	C	S	.	.	H	α-helix	trans	-62.2	-26.4	173	102.1	0	0	0	0	111.8	T251 A252 R257	T251-S254 VanDerWaalsContact O-CB 3.23Å; T251-S254 WeakPolarHBondContact O-CB 2.95Å; T251-S254 PolarHBondContact O-N 2.83Å; T251-S254 PolarHBondContact O-OG 3.25Å; T251-S254 PolarHBondContact OG1-N 3.24Å; A252-S254 PolarHBondContact O-N 3.11Å; S254-R257 PolarHBondContact O-N 3.38Å
255	K	56.5	Low	69	Low	140 Å²	140	92.5 Å²	92.5	61%	0.609	41%	0.409	S	S	*	.	H	α-helix	trans	-65.5	-47.9	170.2	-62.9	179	-177.7	169.4	0	109.8	A252 K253 R257 K258 E259	A252-K255 VanDerWaalsContact O-CB 3.24Å; A252-K255 WeakPolarHBondContact O-CB 3.48Å; A252-K255 PolarHBondContact O-N 2.72Å; K253-K255 PolarHBondContact O-N 3.17Å; K255-R257 PolarHBondContact O-N 2.92Å; K255-K258 PolarHBondContact O-N 2.77Å; K255-K258 VanDerWaalsContact O-N 3.11Å; K255-E259 PolarHBondContact O-N 2.93Å
256	M	53.1	Low	67.7	Low	115 Å²	115	98.7 Å²	98.7	57%	0.567	43%	0.433	S	S	*	.	H	α-helix	trans	-60	-29	175.5	-67.1	-157.1	-67.5	0	0	112.7	K253 K258 E259 W260	K253-M256 HydrophobicContact CB-CE 4.27Å; K253-M256 HydrophobicContact CD-CE 4.17Å; K253-M256 HydrophobicContact CG-CE 3.79Å; K253-M256 CarbonylContact O-C 3.52Å; K253-M256 WeakPolarHBondContact O-CA 3.3Å; K253-M256 WeakPolarHBondContact O-CB 3.2Å; K253-M256 PolarHBondContact O-N 3.07Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 2.87Å; M256-E259 CarbonylContact O-C 3.46Å; M256-E259 PolarHBondContact O-N 2.78Å; M256-W260 WeakPolarHBondContact O-CA 3.42Å; M256-W260 WeakPolarHBondContact O-CB 3.38Å; M256-W260 PolarHBondContact O-N 2.97Å
257	R	51	Low	66.3	Low	107 Å²	107	97.6 Å²	97.6	40%	0.404	43%	0.43	S	S	.	.	H	α-helix	trans	-62.5	-33.3	176.9	-173.5	-179.1	-73.3	-172.4	-6.1	113	F228 K253 S254 K255 K261	F228-R257 VanDerWaalsContact CD2-CZ 3.42Å; K253-R257 PolarHBondContact O-N 2.87Å; S254-R257 PolarHBondContact O-N 3.38Å; K255-R257 PolarHBondContact O-N 2.92Å; R257-K261 WeakPolarHBondContact O-CG 3.31Å; R257-K261 PolarHBondContact O-N 3.47Å
258	K	55.9	Low	65.3	Low	168 Å²	168	104.7 Å²	104.7	73%	0.73	46%	0.457	S	S	*	.	H	α-helix	trans	-68.8	-46.6	174.3	-72.1	-175	177.4	-173	0	110.3	K255 M256 W260 K261 F262	K255-K258 PolarHBondContact O-N 2.77Å; K255-K258 VanDerWaalsContact O-N 3.11Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 2.87Å; K258-W260 PolarHBondContact O-N 2.81Å; K258-K261 PolarHBondContact O-N 2.03Å; K258-F262 PolarHBondContact O-N 3.28Å; K258-F262 VanDerWaalsContact O-N 3.15Å
259	E	55.2	Low	64.6	Low	130 Å²	130	103 Å²	103	61%	0.607	46%	0.461	S	S	*	.	H	α-helix	trans	-65.4	-35.8	176.1	-59.3	-55	146.2	0	0	112.7	K255 M256 F262 F263	K255-E259 PolarHBondContact O-N 2.93Å; M256-E259 CarbonylContact O-C 3.46Å; M256-E259 PolarHBondContact O-N 2.78Å; E259-F262 CarbonylContact O-C 3.52Å; E259-F262 WeakPolarHBondContact O-CA 3.48Å; E259-F262 VanDerWaalsContact O-CB 3.32Å; E259-F262 WeakPolarHBondContact O-CB 3.3Å; E259-F262 PolarHBondContact O-N 3.4Å; E259-F262 VanDerWaalsContact O-N 3.15Å; E259-F263 WeakPolarHBondContact O-CB 3.48Å; E259-F263 PolarHBondContact O-N 2.82Å
260	W	49.5	Very low	64.1	Low	158 Å²	158	105.6 Å²	105.6	60%	0.598	48%	0.476	S	S	*	.	H	α-helix	trans	-70	-40.3	178.1	-179.8	-101.8	0	0	0	110.8	M256 K258 F262 F263 V264	M256-W260 WeakPolarHBondContact O-CA 3.42Å; M256-W260 WeakPolarHBondContact O-CB 3.38Å; M256-W260 PolarHBondContact O-N 2.97Å; K258-W260 PolarHBondContact O-N 2.81Å; W260-F262 PolarHBondContact O-N 2.66Å; W260-F263 HydrophobicContact CE3-CD1 4.33Å; W260-F263 HydrophobicContact CZ3-CD1 4.09Å; W260-F263 HydrophobicContact CZ3-CE1 4.43Å; W260-F263 PolarHBondContact O-N 3.21Å; W260-V264 HydrophobicContact CD2-CG2 3.88Å; W260-V264 HydrophobicContact CG-CG2 4.16Å; W260-V264 HydrophobicContact CH2-CG2 4.44Å; W260-V264 HydrophobicContact CZ2-CG2 3.68Å; W260-V264 VanDerWaalsContact NE1-CG2 3.32Å; W260-V264 VanDerWaalsContact O-CB 3.3Å; W260-V264 WeakPolarHBondContact O-CB 3.29Å; W260-V264 VanDerWaalsContact O-CG2 3.28Å; W260-V264 WeakPolarHBondContact O-CG2 3.39Å; W260-V264 PolarHBondContact O-N 2.89Å
261	K	58.7	Low	63.6	Low	134 Å²	134	106.4 Å²	106.4	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-60.3	-36.5	170.4	-79.7	-175.6	176.8	-171.6	0	111.1	R257 K258 R265	R257-K261 WeakPolarHBondContact O-CG 3.31Å; R257-K261 PolarHBondContact O-N 3.47Å; K258-K261 PolarHBondContact O-N 2.03Å; K261-R265 VanDerWaalsContact O-CB 3.25Å; K261-R265 WeakPolarHBondContact O-CB 3.43Å; K261-R265 WeakPolarHBondContact O-CG 3.18Å; K261-R265 PolarHBondContact O-N 2.84Å
262	F	59.1	Low	63.2	Low	137 Å²	137	110 Å²	110	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-67.9	-49.8	173.6	-177.5	-94.8	0	0	0	111.7	K258 E259 W260 R265 Y266	K258-F262 PolarHBondContact O-N 3.28Å; K258-F262 VanDerWaalsContact O-N 3.15Å; E259-F262 CarbonylContact O-C 3.52Å; E259-F262 WeakPolarHBondContact O-CA 3.48Å; E259-F262 VanDerWaalsContact O-CB 3.32Å; E259-F262 WeakPolarHBondContact O-CB 3.3Å; E259-F262 PolarHBondContact O-N 3.4Å; E259-F262 VanDerWaalsContact O-N 3.15Å; W260-F262 PolarHBondContact O-N 2.66Å; F262-R265 PolarHBondContact O-N 2.85Å; F262-Y266 WeakPolarHBondContact O-CB 3.48Å; F262-Y266 PolarHBondContact O-N 3.39Å
263	F	58.8	Low	63.6	Low	90 Å²	90	111.1 Å²	111.1	40%	0.395	50%	0.502	S	S	.	.	H	α-helix	trans	-59.4	-50.7	178.4	-173.9	-88.1	0	0	0	111.6	E259 W260 R265 Y266 Y267	E259-F263 WeakPolarHBondContact O-CB 3.48Å; E259-F263 PolarHBondContact O-N 2.82Å; W260-F263 HydrophobicContact CE3-CD1 4.33Å; W260-F263 HydrophobicContact CZ3-CD1 4.09Å; W260-F263 HydrophobicContact CZ3-CE1 4.43Å; W260-F263 PolarHBondContact O-N 3.21Å; F263-R265 PolarHBondContact O-N 2.95Å; F263-Y266 PolarHBondContact O-N 3.1Å; F263-Y267 AromaticContact CD1-CD2 3.81Å; F263-Y267 HydrophobicContact CD1-CD2 3.81Å; F263-Y267 HydrophobicContact CD1-CE2 4.31Å; F263-Y267 HydrophobicContact CD1-CG 4.33Å; F263-Y267 AromaticContact CD2-CD2 3.61Å; F263-Y267 HydrophobicContact CD2-CD2 3.61Å; F263-Y267 AromaticContact CD2-CE2 3.36Å; F263-Y267 HydrophobicContact CD2-CE2 3.36Å; F263-Y267 HydrophobicContact CE1-CD1 4.44Å; F263-Y267 AromaticContact CE1-CD2 3.63Å; F263-Y267 HydrophobicContact CE1-CD2 3.63Å; F263-Y267 AromaticContact CE1-CE2 3.95Å; F263-Y267 HydrophobicContact CE1-CE2 3.95Å; F263-Y267 AromaticContact CE1-CG 3.91Å; F263-Y267 HydrophobicContact CE1-CG 3.91Å; F263-Y267 AromaticContact CE2-CD2 3.47Å; F263-Y267 HydrophobicContact CE2-CD2 3.47Å; F263-Y267 VanDerWaalsContact CE2-CD2 3.47Å; F263-Y267 HydrophobicContact CE2-CE1 4.37Å; F263-Y267 AromaticContact CE2-CE2 2.94Å; F263-Y267 HydrophobicContact CE2-CE2 2.94Å; F263-Y267 HydrophobicContact CE2-CG 4.38Å; F263-Y267 AromaticContact CE2-CZ 3.45Å; F263-Y267 VanDerWaalsContact CE2-CZ 3.45Å; F263-Y267 AromaticContact CG-CD2 3.79Å; F263-Y267 HydrophobicContact CG-CD2 3.79Å; F263-Y267 HydrophobicContact CG-CE2 4.05Å; F263-Y267 HydrophobicContact CZ-CD1 4.19Å; F263-Y267 AromaticContact CZ-CD2 3.46Å; F263-Y267 HydrophobicContact CZ-CD2 3.46Å; F263-Y267 VanDerWaalsContact CZ-CD2 3.46Å; F263-Y267 AromaticContact CZ-CE1 3.98Å; F263-Y267 HydrophobicContact CZ-CE1 3.98Å; F263-Y267 AromaticContact CZ-CE2 3.26Å; F263-Y267 HydrophobicContact CZ-CE2 3.26Å; F263-Y267 AromaticContact CZ-CG 3.93Å; F263-Y267 HydrophobicContact CZ-CG 3.93Å; F263-Y267 AromaticContact CZ-CZ 3.5Å; F263-Y267 WeakPolarHBondContact O-CB 3.48Å; F263-Y267 WeakPolarHBondContact O-CD2 3.44Å; F263-Y267 PolarHBondContact O-N 3.04Å
264	V	64.9	Low	64.1	Low	44 Å²	44	111.4 Å²	111.4	27%	0.267	51%	0.511	S	S	.	.	H	α-helix	trans	-59.9	-46.6	176.1	172.4	0	0	0	0	110.2	W260 Y266 Y268	W260-V264 HydrophobicContact CD2-CG2 3.88Å; W260-V264 HydrophobicContact CG-CG2 4.16Å; W260-V264 HydrophobicContact CH2-CG2 4.44Å; W260-V264 HydrophobicContact CZ2-CG2 3.68Å; W260-V264 VanDerWaalsContact NE1-CG2 3.32Å; W260-V264 VanDerWaalsContact O-CB 3.3Å; W260-V264 WeakPolarHBondContact O-CB 3.29Å; W260-V264 VanDerWaalsContact O-CG2 3.28Å; W260-V264 WeakPolarHBondContact O-CG2 3.39Å; W260-V264 PolarHBondContact O-N 2.89Å; V264-Y266 VanDerWaalsContact C-N 3.35Å; V264-Y266 PolarHBondContact O-N 3.43Å; V264-Y268 HydrophobicContact CG1-CD2 3.8Å; V264-Y268 HydrophobicContact CG1-CE2 4.32Å; V264-Y268 WeakPolarHBondContact O-CA 3.34Å; V264-Y268 WeakPolarHBondContact O-CB 3.44Å; V264-Y268 PolarHBondContact O-N 3.3Å
265	R	68	Low	64.9	Low	196 Å²	196	117.1 Å²	117.1	74%	0.74	53%	0.53	S	S	*	.	H	α-helix	trans	-60.6	-43.4	177.4	-80.8	178.2	177.4	-168.7	-2	112.4	K261 F262 F263 A269	K261-R265 VanDerWaalsContact O-CB 3.25Å; K261-R265 WeakPolarHBondContact O-CB 3.43Å; K261-R265 WeakPolarHBondContact O-CG 3.18Å; K261-R265 PolarHBondContact O-N 2.84Å; F262-R265 PolarHBondContact O-N 2.85Å; F263-R265 PolarHBondContact O-N 2.95Å; R265-A269 WeakPolarHBondContact O-CB 3.32Å; R265-A269 PolarHBondContact O-N 3.28Å
266	Y	63.9	Low	66.3	Low	142 Å²	142	115.7 Å²	115.7	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-67.2	-53.1	-179.6	-171.2	-96.4	0	0	0	111.1	F262 F263 V264 A269 T270	F262-Y266 WeakPolarHBondContact O-CB 3.48Å; F262-Y266 PolarHBondContact O-N 3.39Å; F263-Y266 PolarHBondContact O-N 3.1Å; V264-Y266 VanDerWaalsContact C-N 3.35Å; V264-Y266 PolarHBondContact O-N 3.43Å; Y266-A269 PolarHBondContact O-N 2.85Å; Y266-T270 PolarHBondContact O-N 3.28Å; Y266-T270 PolarHBondContact O-OG1 3.08Å
267	Y	65.6	Low	67.9	Low	117 Å²	117	115.6 Å²	115.6	46%	0.459	52%	0.52	S	S	.	.	H	α-helix	trans	-68.2	-40.7	-179.2	-82.4	-98.3	0	0	0	112.7	F263 A269 T270 I271	F263-Y267 AromaticContact CD1-CD2 3.81Å; F263-Y267 HydrophobicContact CD1-CD2 3.81Å; F263-Y267 HydrophobicContact CD1-CE2 4.31Å; F263-Y267 HydrophobicContact CD1-CG 4.33Å; F263-Y267 AromaticContact CD2-CD2 3.61Å; F263-Y267 HydrophobicContact CD2-CD2 3.61Å; F263-Y267 AromaticContact CD2-CE2 3.36Å; F263-Y267 HydrophobicContact CD2-CE2 3.36Å; F263-Y267 HydrophobicContact CE1-CD1 4.44Å; F263-Y267 AromaticContact CE1-CD2 3.63Å; F263-Y267 HydrophobicContact CE1-CD2 3.63Å; F263-Y267 AromaticContact CE1-CE2 3.95Å; F263-Y267 HydrophobicContact CE1-CE2 3.95Å; F263-Y267 AromaticContact CE1-CG 3.91Å; F263-Y267 HydrophobicContact CE1-CG 3.91Å; F263-Y267 AromaticContact CE2-CD2 3.47Å; F263-Y267 HydrophobicContact CE2-CD2 3.47Å; F263-Y267 VanDerWaalsContact CE2-CD2 3.47Å; F263-Y267 HydrophobicContact CE2-CE1 4.37Å; F263-Y267 AromaticContact CE2-CE2 2.94Å; F263-Y267 HydrophobicContact CE2-CE2 2.94Å; F263-Y267 HydrophobicContact CE2-CG 4.38Å; F263-Y267 AromaticContact CE2-CZ 3.45Å; F263-Y267 VanDerWaalsContact CE2-CZ 3.45Å; F263-Y267 AromaticContact CG-CD2 3.79Å; F263-Y267 HydrophobicContact CG-CD2 3.79Å; F263-Y267 HydrophobicContact CG-CE2 4.05Å; F263-Y267 HydrophobicContact CZ-CD1 4.19Å; F263-Y267 AromaticContact CZ-CD2 3.46Å; F263-Y267 HydrophobicContact CZ-CD2 3.46Å; F263-Y267 VanDerWaalsContact CZ-CD2 3.46Å; F263-Y267 AromaticContact CZ-CE1 3.98Å; F263-Y267 HydrophobicContact CZ-CE1 3.98Å; F263-Y267 AromaticContact CZ-CE2 3.26Å; F263-Y267 HydrophobicContact CZ-CE2 3.26Å; F263-Y267 AromaticContact CZ-CG 3.93Å; F263-Y267 HydrophobicContact CZ-CG 3.93Å; F263-Y267 AromaticContact CZ-CZ 3.5Å; F263-Y267 WeakPolarHBondContact O-CB 3.48Å; F263-Y267 WeakPolarHBondContact O-CD2 3.44Å; F263-Y267 PolarHBondContact O-N 3.04Å; Y267-A269 VanDerWaalsContact C-N 3.33Å; Y267-A269 PolarHBondContact O-N 2.79Å; Y267-T270 PolarHBondContact O-N 2.84Å; Y267-I271 WeakPolarHBondContact O-CB 3.31Å; Y267-I271 WeakPolarHBondContact O-CD1 3.4Å; Y267-I271 WeakPolarHBondContact O-CG1 3.27Å; Y267-I271 PolarHBondContact O-N 3.01Å
268	Y	70	Confident	69.3	Low	160 Å²	160	117.5 Å²	117.5	63%	0.627	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-43.7	172	-104.6	-97.9	0	0	0	110.7	V264 T270 I271 L272	V264-Y268 HydrophobicContact CG1-CD2 3.8Å; V264-Y268 HydrophobicContact CG1-CE2 4.32Å; V264-Y268 WeakPolarHBondContact O-CA 3.34Å; V264-Y268 WeakPolarHBondContact O-CB 3.44Å; V264-Y268 PolarHBondContact O-N 3.3Å; Y268-T270 VanDerWaalsContact C-N 3.34Å; Y268-T270 PolarHBondContact O-N 2.54Å; Y268-I271 PolarHBondContact O-N 2.77Å; Y268-L272 WeakPolarHBondContact O-CB 3.25Å; Y268-L272 PolarHBondContact O-N 2.55Å
269	A	73.9	Confident	70.3	Confident	60 Å²	60	113.7 Å²	113.7	50%	0.496	51%	0.514	S	S	.	.	H	α-helix	trans	-60.5	-43.7	177.6	0	0	0	0	0	111.7	R265 Y266 Y267 L272 D273	R265-A269 WeakPolarHBondContact O-CB 3.32Å; R265-A269 PolarHBondContact O-N 3.28Å; Y266-A269 PolarHBondContact O-N 2.85Å; Y267-A269 VanDerWaalsContact C-N 3.33Å; Y267-A269 PolarHBondContact O-N 2.79Å; A269-L272 PolarHBondContact O-N 2.94Å; A269-D273 WeakPolarHBondContact O-CB 3.33Å; A269-D273 PolarHBondContact O-N 3.33Å
270	T	74.9	Confident	71.4	Confident	65 Å²	65	116.7 Å²	116.7	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-44.6	177.2	-54.6	0	0	0	0	112.4	Y266 Y267 Y268 D273 T274	Y266-T270 PolarHBondContact O-N 3.28Å; Y266-T270 PolarHBondContact O-OG1 3.08Å; Y267-T270 PolarHBondContact O-N 2.84Å; Y268-T270 VanDerWaalsContact C-N 3.34Å; Y268-T270 PolarHBondContact O-N 2.54Å; T270-D273 PolarHBondContact O-N 3.24Å; T270-T274 WeakPolarHBondContact O-CB 3.42Å; T270-T274 PolarHBondContact O-N 2.77Å; T270-T274 PolarHBondContact O-OG1 3Å
271	I	75.3	Confident	72.5	Confident	109 Å²	109	118.4 Å²	118.4	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-44.4	177.1	-69.1	166	0	0	0	110.1	Y267 Y268 T274 Y275	Y267-I271 WeakPolarHBondContact O-CB 3.31Å; Y267-I271 WeakPolarHBondContact O-CD1 3.4Å; Y267-I271 WeakPolarHBondContact O-CG1 3.27Å; Y267-I271 PolarHBondContact O-N 3.01Å; Y268-I271 PolarHBondContact O-N 2.77Å; I271-T274 PolarHBondContact O-N 2.97Å; I271-Y275 WeakPolarHBondContact O-CB 3.47Å; I271-Y275 PolarHBondContact O-N 2.94Å
272	L	75	Confident	72.5	Confident	85 Å²	85	123.9 Å²	123.9	45%	0.445	55%	0.548	S	S	.	.	H	α-helix	trans	-66.8	-37.8	-179.8	-142.9	104.4	0	0	0	111.8	Y268 A269 K276	Y268-L272 WeakPolarHBondContact O-CB 3.25Å; Y268-L272 PolarHBondContact O-N 2.55Å; A269-L272 PolarHBondContact O-N 2.94Å; L272-K276 HydrophobicContact CD2-CD 4.45Å; L272-K276 WeakPolarHBondContact O-CB 3.35Å; L272-K276 VanDerWaalsContact O-CG 3.27Å; L272-K276 WeakPolarHBondContact O-CG 3.31Å; L272-K276 PolarHBondContact O-N 2.77Å
273	D	82.4	Confident	73.2	Confident	70 Å²	70	123.2 Å²	123.2	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-42.4	174.1	-174.4	54	0	0	0	111.6	A269 T270 Y275 K276 K277	A269-D273 WeakPolarHBondContact O-CB 3.33Å; A269-D273 PolarHBondContact O-N 3.33Å; T270-D273 PolarHBondContact O-N 3.24Å; D273-Y275 PolarHBondContact O-N 2.85Å; D273-K276 PolarHBondContact O-N 3.37Å; D273-K277 WeakPolarHBondContact O-CB 3.48Å; D273-K277 WeakPolarHBondContact O-CG 3.42Å; D273-K277 PolarHBondContact O-N 3.28Å; D273-K277 VanDerWaalsContact OD2-CE 3.22Å; D273-K277 WeakPolarHBondContact OD2-CE 3.34Å; D273-K277 IonicContact OD2-NZ 2.7Å; D273-K277 PolarHBondContact OD2-NZ 3.37Å
274	T	76.9	Confident	73.9	Confident	89 Å²	89	124.9 Å²	124.9	55%	0.546	55%	0.554	S	S	.	*	H	α-helix	trans	-61.1	-45.4	175.6	-54.7	0	0	0	0	111	T270 I271 K277 Y278	T270-T274 WeakPolarHBondContact O-CB 3.42Å; T270-T274 PolarHBondContact O-N 2.77Å; T270-T274 PolarHBondContact O-OG1 3Å; I271-T274 PolarHBondContact O-N 2.97Å; T274-K277 PolarHBondContact O-N 3.44Å; T274-Y278 PolarHBondContact O-N 3.09Å
275	Y	74.6	Confident	74.4	Confident	143 Å²	143	129.4 Å²	129.4	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-63.2	-44.5	176.2	-176.9	-101.6	0	0	0	112.1	I271 D273 K277 Y278 M279	I271-Y275 WeakPolarHBondContact O-CB 3.47Å; I271-Y275 PolarHBondContact O-N 2.94Å; D273-Y275 PolarHBondContact O-N 2.85Å; Y275-K277 VanDerWaalsContact C-N 3.33Å; Y275-K277 PolarHBondContact O-N 3.33Å; Y275-Y278 PolarHBondContact O-N 2.83Å; Y275-M279 HydrophobicContact CD1-CG 4.23Å; Y275-M279 HydrophobicContact CE1-CG 3.83Å; Y275-M279 HydrophobicContact CE2-CG 4.32Å; Y275-M279 HydrophobicContact CE2-SD 4.44Å; Y275-M279 WeakPolarHBondContact O-CG 3.37Å; Y275-M279 PolarHBondContact O-N 3.38Å
276	K	85.5	Confident	74.8	Confident	111 Å²	111	125.5 Å²	125.5	48%	0.483	56%	0.56	S	S	.	*	H	α-helix	trans	-60.5	-40.1	175.3	-79.7	173.3	175.7	179.8	0	112.4	L272 D273 M279 R280	L272-K276 HydrophobicContact CD2-CD 4.45Å; L272-K276 WeakPolarHBondContact O-CB 3.35Å; L272-K276 VanDerWaalsContact O-CG 3.27Å; L272-K276 WeakPolarHBondContact O-CG 3.31Å; L272-K276 PolarHBondContact O-N 2.77Å; D273-K276 PolarHBondContact O-N 3.37Å; K276-M279 PolarHBondContact O-N 3.49Å; K276-R280 PolarHBondContact O-N 3.29Å
277	K	87.4	Confident	75.5	Confident	113 Å²	113	124.5 Å²	124.5	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-65.9	-40.7	175.6	-77.4	170.7	176.5	159.8	0	112.1	D273 T274 Y275 R280 K281	D273-K277 WeakPolarHBondContact O-CB 3.48Å; D273-K277 WeakPolarHBondContact O-CG 3.42Å; D273-K277 PolarHBondContact O-N 3.28Å; D273-K277 VanDerWaalsContact OD2-CE 3.22Å; D273-K277 WeakPolarHBondContact OD2-CE 3.34Å; D273-K277 IonicContact OD2-NZ 2.7Å; D273-K277 PolarHBondContact OD2-NZ 3.37Å; T274-K277 PolarHBondContact O-N 3.44Å; Y275-K277 VanDerWaalsContact C-N 3.33Å; Y275-K277 PolarHBondContact O-N 3.33Å; K277-R280 PolarHBondContact O-N 3.4Å; K277-K281 PolarHBondContact O-N 3.18Å
278	Y	79.8	Confident	76.2	Confident	147 Å²	147	125 Å²	125	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-61.5	-46.3	175.1	-179.7	-98	0	0	0	111.4	T274 Y275 R280 K281	T274-Y278 PolarHBondContact O-N 3.09Å; Y275-Y278 PolarHBondContact O-N 2.83Å; Y278-R280 VanDerWaalsContact C-N 3.3Å; Y278-R280 PolarHBondContact O-N 3.13Å; Y278-K281 PolarHBondContact O-N 3.14Å
279	M	76.6	Confident	76.6	Confident	87 Å²	87	122.5 Å²	122.5	43%	0.429	56%	0.562	S	S	.	*	H	α-helix	trans	-66.5	-25.8	-180	-68.2	-63.4	-70.5	0	0	114.1	Y275 K276	Y275-M279 HydrophobicContact CD1-CG 4.23Å; Y275-M279 HydrophobicContact CE1-CG 3.83Å; Y275-M279 HydrophobicContact CE2-CG 4.32Å; Y275-M279 HydrophobicContact CE2-SD 4.44Å; Y275-M279 WeakPolarHBondContact O-CG 3.37Å; Y275-M279 PolarHBondContact O-N 3.38Å; K276-M279 PolarHBondContact O-N 3.49Å
280	R	79.5	Confident	76.8	Confident	194 Å²	194	127.3 Å²	127.3	73%	0.732	57%	0.567	S	S	*	*	H	α-helix	trans	-77.7	-19.2	174.9	-76.8	-175.9	-169.4	141.7	0.2	114.4	K276 K277 Y278 R282	K276-R280 PolarHBondContact O-N 3.29Å; K277-R280 PolarHBondContact O-N 3.4Å; Y278-R280 VanDerWaalsContact C-N 3.3Å; Y278-R280 PolarHBondContact O-N 3.13Å; R280-R282 VanDerWaalsContact C-N 3.28Å
281	K	72.6	Confident	77	Confident	194 Å²	194	132.5 Å²	132.5	84%	0.843	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-3.5	178.1	-73.2	-172	177	-172.8	0	112.7	K277 Y278	K277-K281 PolarHBondContact O-N 3.18Å; Y278-K281 PolarHBondContact O-N 3.14Å
282	R	58.2	Low	77.1	Confident	248 Å²	248	134.6 Å²	134.6	94%	0.936	58%	0.583	S	S	*	*			trans	-104.7	0	178.5	-150.2	-178.5	-166.3	-176.6	3.3	109	R280	R280-R282 VanDerWaalsContact C-N 3.28Å

Retrieved 282 of 282 residues in 138.4 ms (Link to these results)

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