A0A077Z171_TRITR Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z171, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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	24.2	Very low	38.3	Very low	241 Å²	241	72.7 Å²	72.7	100%	1.187	40%	0.396	S	S	*	.				0	105.2	0	-92.3	-176.9	172.1	0	0	108.3
2	T	27.8	Very low	38.9	Very low	116 Å²	116	68.5 Å²	68.5	71%	0.712	37%	0.37	S	S	*	.			trans	-85.6	110.7	179	47.6	0	0	0	0	110.4
3	T	24.8	Very low	39.3	Very low	111 Å²	111	65.2 Å²	65.2	68%	0.681	35%	0.352	S	S	*	.			trans	-72.2	126.9	170.5	-16.3	0	0	0	0	108.7	I5	T3-I5 PolarHBondContact O-N 3.22Å
4	P	31.3	Very low	39.5	Very low	99 Å²	99	63.9 Å²	63.9	64%	0.643	35%	0.35	S	S	*	.			trans	-60	123.9	171	22.6	-29.7	0	0	0	108.9
5	I	34.3	Very low	39.7	Very low	54 Å²	54	65.1 Å²	65.1	28%	0.277	36%	0.36	S	S	.	.			trans	-85.5	115.5	171.1	-62.3	174.3	0	0	0	106.5	T3 L233	T3-I5 PolarHBondContact O-N 3.22Å; I5-L233 HydrophobicContact CG2-CB 3.71Å
6	D	40.4	Very low	39.7	Very low	59 Å²	59	65.3 Å²	65.3	32%	0.316	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.2	170.5	-78.9	-24.9	0	0	0	108.7	F232 L233	D6-F232 HydrophobicContact CB-CD1 3.44Å; D6-F232 VanDerWaalsContact CB-CD1 3.44Å; D6-F232 HydrophobicContact CB-CE1 3.54Å; D6-F232 WeakPolarHBondContact OD2-CE1 3.29Å; D6-L233 PolarHBondContact O-N 3.35Å
7	V	41.4	Very low	39.9	Very low	26 Å²	26	70.8 Å²	70.8	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.3	176.8	-176.2	0	0	0	0	109.9	L158 L233 L235	V7-L158 HydrophobicContact CG1-CD1 3.89Å; V7-L233 WeakPolarHBondContact CA-O 3.28Å; V7-L235 HydrophobicContact CG1-CD1 4.01Å; V7-L235 HydrophobicContact CG1-CG 4.28Å
8	W	47.3	Very low	40.2	Very low	78 Å²	78	67.8 Å²	67.8	30%	0.295	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.9	174.2	-76.1	55.5	0	0	0	109.7	S22 R24 F232 L233 V234 L235	W8-S22 WeakPolarHBondContact CA-OG 3.05Å; W8-R24 HydrophobicContact CZ2-CB 4.48Å; W8-R24 HydrophobicContact CZ2-CG 4.41Å; W8-F232 AromaticContact NE1-CD1 3.8Å; W8-L233 PolarHBondContact N-O 2.92Å; W8-V234 HydrophobicContact CB-CG2 4.43Å; W8-V234 WeakPolarHBondContact O-CA 3.35Å; W8-L235 PolarHBondContact O-N 3.36Å
9	L	49.8	Very low	40.4	Very low	7 Å²	7	66.9 Å²	66.9	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.1	172.3	179.4	66.3	0	0	0	109	V11 N21 S22 I163 L167 L224 L235	L9-V11 HydrophobicContact CD1-CG2 4.38Å; L9-V11 HydrophobicContact CD2-CG2 4.33Å; L9-V11 HydrophobicContact CG-CG2 4.06Å; L9-N21 CarbonylContact O-C 3.57Å; L9-N21 VanDerWaalsContact O-CA 3.29Å; L9-N21 WeakPolarHBondContact O-CA 3.48Å; L9-N21 PolarHBondContact O-OD1 2.97Å; L9-S22 PolarHBondContact N-OG 2.68Å; L9-S22 PolarHBondContact O-N 3.21Å; L9-I163 HydrophobicContact CD2-CD1 4.24Å; L9-L167 HydrophobicContact CD1-CD1 4.15Å; L9-L167 HydrophobicContact CD2-CD1 4.1Å; L9-L224 HydrophobicContact CD1-CD1 4.46Å; L9-L235 HydrophobicContact CD1-CB 3.81Å
10	I	51.6	Low	40.7	Very low	9 Å²	9	63.9 Å²	63.9	5%	0.046	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.5	172.7	-45.5	175.1	0	0	0	108.2	Y12 V18 V234 L235 L236 L237	I10-Y12 HydrophobicContact CB-CE2 3.79Å; I10-Y12 HydrophobicContact CG2-CD2 4.01Å; I10-Y12 HydrophobicContact CG2-CE2 3.23Å; I10-V18 HydrophobicContact CG2-CG1 3.92Å; I10-V18 HydrophobicContact CG2-CG2 4.06Å; I10-V234 HydrophobicContact CD1-CG1 4.24Å; I10-L235 PolarHBondContact N-O 3.49Å; I10-L236 HydrophobicContact CB-CD2 4.15Å; I10-L236 HydrophobicContact CD1-CD2 4.38Å; I10-L236 WeakPolarHBondContact O-CA 3.28Å; I10-L237 PolarHBondContact O-N 3.47Å
11	V	48.6	Very low	41	Very low	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.7	-178.6	-173.5	0	0	0	0	109.4	L9 V18 V19 A20 I163 L237 F243	L9-V11 HydrophobicContact CD1-CG2 4.38Å; L9-V11 HydrophobicContact CD2-CG2 4.33Å; L9-V11 HydrophobicContact CG-CG2 4.06Å; V11-V18 CarbonylContact O-C 3.55Å; V11-V18 WeakPolarHBondContact O-CA 3.27Å; V11-V19 HydrophobicContact CB-CG2 3.93Å; V11-V19 HydrophobicContact CG1-CG2 3.55Å; V11-V19 WeakPolarHBondContact O-CG2 3.45Å; V11-V19 PolarHBondContact O-N 3.07Å; V11-A20 HydrophobicContact CB-CB 4.3Å; V11-A20 PolarHBondContact N-O 2.74Å; V11-A20 PolarHBondContact O-N 3.36Å; V11-I163 HydrophobicContact CB-CG2 4.48Å; V11-I163 HydrophobicContact CG2-CD1 3.92Å; V11-I163 HydrophobicContact CG2-CG2 3.93Å; V11-L237 WeakPolarHBondContact CA-O 3.35Å; V11-L237 HydrophobicContact CG1-CB 4.26Å; V11-L237 HydrophobicContact CG1-CD2 4.12Å; V11-L237 HydrophobicContact CG1-CG 4.47Å; V11-L237 HydrophobicContact CG2-CB 4.09Å; V11-L237 HydrophobicContact CG2-CD2 4.32Å; V11-F243 HydrophobicContact CG1-CE2 3.92Å; V11-F243 HydrophobicContact CG1-CZ 4.45Å
12	Y	44.7	Very low	42.1	Very low	22 Å²	22	52.6 Å²	52.6	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.7	177.9	-62.8	-100.2	0	0	0	110.6	I10 R17 V18 L236 L237 A239	I10-Y12 HydrophobicContact CB-CE2 3.79Å; I10-Y12 HydrophobicContact CG2-CD2 4.01Å; I10-Y12 HydrophobicContact CG2-CE2 3.23Å; Y12-R17 VanDerWaalsContact CA-O 3.24Å; Y12-R17 WeakPolarHBondContact CA-O 3.36Å; Y12-V18 HydrophobicContact CD1-CG2 3.83Å; Y12-V18 HydrophobicContact CE1-CB 4.39Å; Y12-V18 HydrophobicContact CE1-CG2 3.26Å; Y12-V18 HydrophobicContact CE2-CG2 4.47Å; Y12-L236 HydrophobicContact CD2-CD2 4.47Å; Y12-L236 HydrophobicContact CE2-CD2 3.72Å; Y12-L237 PolarHBondContact N-O 3.27Å; Y12-A239 PolarHBondContact O-N 3.38Å
13	D	44.8	Very low	42.8	Very low	25 Å²	25	51.4 Å²	51.4	13%	0.134	28%	0.282	C	S	.	.			trans	-81.4	175.7	167	68.6	20.1	0	0	0	112	T15 C16 R17 V19	D13-T15 VanDerWaalsContact CG-OG1 3.26Å; D13-T15 PolarHBondContact O-N 3.19Å; D13-T15 VanDerWaalsContact OD1-C 3.3Å; D13-T15 VanDerWaalsContact OD1-CA 3.23Å; D13-T15 WeakPolarHBondContact OD1-CA 3.5Å; D13-T15 WeakPolarHBondContact OD1-CB 3.39Å; D13-T15 PolarHBondContact OD1-N 2.81Å; D13-T15 PolarHBondContact OD1-OG1 2.83Å; D13-T15 PolarHBondContact OD2-OG1 2.98Å; D13-C16 PolarHBondContact O-N 3.31Å; D13-C16 PolarHBondContact OD1-N 3.36Å; D13-R17 PolarHBondContact N-O 3.39Å; D13-R17 PolarHBondContact OD1-N 2.95Å; D13-V19 HydrophobicContact CB-CG1 3.78Å
14	S	41.3	Very low	43.3	Very low	48 Å²	48	54.5 Å²	54.5	34%	0.336	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.3	177.2	66.2	0	0	0	0	114.1	A239 S240	S14-A239 WeakPolarHBondContact CA-O 3.32Å; S14-A239 PolarHBondContact N-O 2.71Å; S14-S240 WeakPolarHBondContact CB-O 3.32Å
15	T	42.8	Very low	43.4	Very low	81 Å²	81	58.7 Å²	58.7	50%	0.497	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.3	174.3	73.8	0	0	0	0	112.4	D13 R17	D13-T15 VanDerWaalsContact CG-OG1 3.26Å; D13-T15 PolarHBondContact O-N 3.19Å; D13-T15 VanDerWaalsContact OD1-C 3.3Å; D13-T15 VanDerWaalsContact OD1-CA 3.23Å; D13-T15 WeakPolarHBondContact OD1-CA 3.5Å; D13-T15 WeakPolarHBondContact OD1-CB 3.39Å; D13-T15 PolarHBondContact OD1-N 2.81Å; D13-T15 PolarHBondContact OD1-OG1 2.83Å; D13-T15 PolarHBondContact OD2-OG1 2.98Å; T15-R17 PolarHBondContact O-N 3.32Å; T15-R17 WeakPolarHBondContact OG1-CD 3.22Å; T15-R17 WeakPolarHBondContact OG1-CG 3.37Å
16	C	39.5	Very low	43.5	Very low	69 Å²	69	61 Å²	61	47%	0.466	30%	0.302	S	S	.	.	S	Bend	trans	60.8	24	-177.3	-53.9	0	0	0	0	113.8	D13 W201	D13-C16 PolarHBondContact O-N 3.31Å; D13-C16 PolarHBondContact OD1-N 3.36Å; C16-W201 HydrophobicContact CB-CZ2 4.46Å
17	R	43.1	Very low	43.1	Very low	159 Å²	159	61.3 Å²	61.3	60%	0.6	31%	0.306	S	S	*	.			trans	-90.4	133.1	174	-65.6	176.2	177.7	-179.2	0.9	109.7	Y12 D13 T15 V19	Y12-R17 VanDerWaalsContact CA-O 3.24Å; Y12-R17 WeakPolarHBondContact CA-O 3.36Å; D13-R17 PolarHBondContact N-O 3.39Å; D13-R17 PolarHBondContact OD1-N 2.95Å; T15-R17 PolarHBondContact O-N 3.32Å; T15-R17 WeakPolarHBondContact OG1-CD 3.22Å; T15-R17 WeakPolarHBondContact OG1-CG 3.37Å; R17-V19 PolarHBondContact O-N 3.33Å; R17-V19 VanDerWaalsContact O-N 3.08Å
18	V	46	Very low	42.4	Very low	16 Å²	16	68 Å²	68	10%	0.097	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	112.3	168.8	-179.7	0	0	0	0	107.7	I10 V11 Y12 A20 M196	I10-V18 HydrophobicContact CG2-CG1 3.92Å; I10-V18 HydrophobicContact CG2-CG2 4.06Å; V11-V18 CarbonylContact O-C 3.55Å; V11-V18 WeakPolarHBondContact O-CA 3.27Å; Y12-V18 HydrophobicContact CD1-CG2 3.83Å; Y12-V18 HydrophobicContact CE1-CB 4.39Å; Y12-V18 HydrophobicContact CE1-CG2 3.26Å; Y12-V18 HydrophobicContact CE2-CG2 4.47Å; V18-A20 WeakPolarHBondContact CG1-O 3.4Å; V18-M196 HydrophobicContact CG2-CB 4.35Å
19	V	44.4	Very low	41.4	Very low	52 Å²	52	72.8 Å²	72.8	32%	0.315	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-22.6	173.7	-66.5	0	0	0	0	111.1	V11 D13 R17	V11-V19 HydrophobicContact CB-CG2 3.93Å; V11-V19 HydrophobicContact CG1-CG2 3.55Å; V11-V19 WeakPolarHBondContact O-CG2 3.45Å; V11-V19 PolarHBondContact O-N 3.07Å; D13-V19 HydrophobicContact CB-CG1 3.78Å; R17-V19 PolarHBondContact O-N 3.33Å; R17-V19 VanDerWaalsContact O-N 3.08Å
20	A	46.7	Very low	40.2	Very low	6 Å²	6	80.7 Å²	80.7	5%	0.05	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	157.2	172.9	0	0	0	0	0	115.4	V11 V18 I163 I193	V11-A20 HydrophobicContact CB-CB 4.3Å; V11-A20 PolarHBondContact N-O 2.74Å; V11-A20 PolarHBondContact O-N 3.36Å; V18-A20 WeakPolarHBondContact CG1-O 3.4Å; A20-I163 HydrophobicContact CB-CB 4.33Å; A20-I163 HydrophobicContact CB-CD1 3.18Å; A20-I163 HydrophobicContact CB-CG1 3.2Å; A20-I163 HydrophobicContact CB-CG2 4.26Å; A20-I193 HydrophobicContact CB-CD1 4.36Å
21	N	45.7	Very low	38.8	Very low	42 Å²	42	86.9 Å²	86.9	23%	0.225	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.2	172.8	-175.6	6.1	0	0	0	110.5	L9 N23	L9-N21 CarbonylContact O-C 3.57Å; L9-N21 VanDerWaalsContact O-CA 3.29Å; L9-N21 WeakPolarHBondContact O-CA 3.48Å; L9-N21 PolarHBondContact O-OD1 2.97Å; N21-N23 PolarHBondContact O-N 3.19Å
22	S	47.6	Very low	37.5	Very low	26 Å²	26	89.7 Å²	89.7	18%	0.182	45%	0.45	C	S	.	.			trans	-68.5	122.9	167.2	56.9	0	0	0	0	110.9	W8 L9	W8-S22 WeakPolarHBondContact CA-OG 3.05Å; L9-S22 PolarHBondContact N-OG 2.68Å; L9-S22 PolarHBondContact O-N 3.21Å
23	N	43	Very low	36.4	Very low	91 Å²	91	93.5 Å²	93.5	49%	0.487	48%	0.475	S	S	.	.			trans	-77.9	138.9	175.6	-111.2	-20.5	0	0	0	111.1	N21 K25 D26	N21-N23 PolarHBondContact O-N 3.19Å; N23-K25 PolarHBondContact O-N 2.96Å; N23-D26 PolarHBondContact O-N 2.94Å
24	R	35.9	Very low	35.4	Very low	175 Å²	175	98.7 Å²	98.7	66%	0.66	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-15.6	-179.6	-155.6	-179.3	-175.2	-175.5	2.6	115	W8	W8-R24 HydrophobicContact CZ2-CB 4.48Å; W8-R24 HydrophobicContact CZ2-CG 4.41Å
25	K	33.4	Very low	34.4	Very low	187 Å²	187	105.6 Å²	105.6	81%	0.813	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.7	179	-65.7	-172.7	179	-179.9	0	114.1	N23	N23-K25 PolarHBondContact O-N 2.96Å
26	D	35.5	Very low	33.5	Very low	103 Å²	103	107.2 Å²	107.2	55%	0.551	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-8.6	-173.6	-62.6	-31.9	0	0	0	112.7	N23 K28	N23-D26 PolarHBondContact O-N 2.94Å; D26-K28 PolarHBondContact O-N 2.9Å
27	V	31.7	Very low	32.7	Very low	65 Å²	65	111.8 Å²	111.8	39%	0.394	56%	0.555	S	S	.	*			trans	-83.4	62	169.5	-165.3	0	0	0	0	109.2
28	K	27.1	Very low	31.9	Very low	168 Å²	168	113 Å²	113	73%	0.73	57%	0.568	S	S	*	*			trans	-86.6	128.5	153.5	-74.3	-172.6	177	-175.8	0	105.6	D26 K30	D26-K28 PolarHBondContact O-N 2.9Å; K28-K30 PolarHBondContact O-N 2.73Å
29	H	26.9	Very low	30.8	Very low	177 Å²	177	117.6 Å²	117.6	82%	0.819	61%	0.607	S	S	*	*			trans	-49	91.9	162.3	-72.5	-72.6	0	0	0	108.5
30	K	23.1	Very low	29.8	Very low	174 Å²	174	117.3 Å²	117.3	76%	0.757	62%	0.615	S	S	*	*			trans	-131.3	90	-179.4	-147.6	-178.2	-174.4	-171.9	0	105.7	K28 S32	K28-K30 PolarHBondContact O-N 2.73Å; K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 3.34Å
31	V	22.3	Very low	28.6	Very low	139 Å²	139	123.7 Å²	123.7	84%	0.842	65%	0.653	S	S	*	*			trans	-57.6	99.4	164.2	178.6	0	0	0	0	106.5
32	S	22.7	Very low	27.5	Very low	59 Å²	59	128.6 Å²	128.6	41%	0.413	68%	0.676	S	S	.	*			trans	-112.9	107	168	39.3	0	0	0	0	108.2	K30 I34	K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 3.34Å; S32-I34 PolarHBondContact O-N 3.13Å
33	V	21.2	Very low	26.2	Very low	101 Å²	101	133.8 Å²	133.8	61%	0.612	70%	0.701	S	S	*	*			trans	-74.1	116.4	169.9	175.9	0	0	0	0	107.6	F35	V33-F35 HydrophobicContact CG1-CD2 3.93Å; V33-F35 HydrophobicContact CG1-CE2 3.52Å; V33-F35 HydrophobicContact CG1-CZ 4.14Å
34	I	22.7	Very low	25.3	Very low	134 Å²	134	132.8 Å²	132.8	69%	0.687	70%	0.698	S	S	*	*			trans	-122.5	119.2	166.9	-56.3	-180	0	0	0	107.8	S32	S32-I34 PolarHBondContact O-N 3.13Å
35	F	21.1	Very low	24.7	Very low	193 Å²	193	128.1 Å²	128.1	85%	0.846	69%	0.685	S	S	*	*			trans	-79.5	133.1	173.4	-71.4	-92.7	0	0	0	109.5	V33	V33-F35 HydrophobicContact CG1-CD2 3.93Å; V33-F35 HydrophobicContact CG1-CE2 3.52Å; V33-F35 HydrophobicContact CG1-CZ 4.14Å
36	S	24.2	Very low	24.2	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	69%	0.686	S	S	*	*			trans	-144.2	124.4	160.9	-177.5	0	0	0	0	108.9
37	E	23.1	Very low	23.7	Very low	165 Å²	165	127.5 Å²	127.5	77%	0.771	68%	0.683	S	S	*	*			trans	-72.6	126.4	175	-65.3	178.8	156	0	0	108.7
38	H	24.8	Very low	23.3	Very low	185 Å²	185	128.3 Å²	128.3	86%	0.856	69%	0.689	S	S	*	*	S	Bend	trans	150.8	116.4	147.9	-72.6	-49	0	0	0	111.4
39	A	23	Very low	23.1	Very low	111 Å²	111	129.1 Å²	129.1	92%	0.917	70%	0.701	S	S	*	*			trans	35.7	98.7	159.7	0	0	0	0	0	119.4
40	G	23.2	Very low	23.1	Very low	47 Å²	47	123.8 Å²	123.8	49%	0.485	68%	0.677	S	S	.	*			trans	-174.9	123.3	160.7	0	0	0	0	0	109.8	M42	G40-M42 PolarHBondContact O-N 3Å; G40-M42 VanDerWaalsContact O-N 3.11Å
41	V	21.8	Very low	23.3	Very low	140 Å²	140	120.8 Å²	120.8	85%	0.848	67%	0.674	S	S	*	*			trans	-46.4	115.4	-171.9	-178.5	0	0	0	0	110.7
42	M	22.6	Very low	23.9	Very low	145 Å²	145	123.1 Å²	123.1	71%	0.714	68%	0.676	S	S	*	*			trans	-107.1	101.8	179.7	-177.2	176.3	76.7	0	0	107.3	G40 T44	G40-M42 PolarHBondContact O-N 3Å; G40-M42 VanDerWaalsContact O-N 3.11Å; M42-T44 VanDerWaalsContact C-N 3.27Å; M42-T44 WeakPolarHBondContact CE-OG1 3.23Å; M42-T44 VanDerWaalsContact CG-OG1 3.31Å; M42-T44 WeakPolarHBondContact CG-OG1 3.5Å; M42-T44 PolarHBondContact O-N 2.91Å
43	L	21.8	Very low	24.4	Very low	134 Å²	134	128.4 Å²	128.4	70%	0.702	69%	0.694	S	S	*	*			trans	-77.2	86.4	164.1	-99.5	154	0	0	0	107.7	I45	L43-I45 PolarHBondContact O-N 3.4Å
44	T	23.5	Very low	24.9	Very low	70 Å²	70	129.5 Å²	129.5	43%	0.429	70%	0.695	S	S	.	*			trans	-78.7	108.6	167.1	-55.5	0	0	0	0	108.5	M42 R46	M42-T44 VanDerWaalsContact C-N 3.27Å; M42-T44 WeakPolarHBondContact CE-OG1 3.23Å; M42-T44 VanDerWaalsContact CG-OG1 3.31Å; M42-T44 WeakPolarHBondContact CG-OG1 3.5Å; M42-T44 PolarHBondContact O-N 2.91Å; T44-R46 HydrophobicContact CG2-CG 3.8Å; T44-R46 PolarHBondContact O-N 2.97Å
45	I	23.7	Very low	25.7	Very low	77 Å²	77	123.4 Å²	123.4	40%	0.395	67%	0.665	S	S	.	*			trans	-77.3	100.8	163.2	-55.3	179.2	0	0	0	106.7	L43 L62 N66	L43-I45 PolarHBondContact O-N 3.4Å; I45-L62 HydrophobicContact CG2-CD2 3.81Å; I45-N66 VanDerWaalsContact CD1-OD1 3.32Å; I45-N66 WeakPolarHBondContact CD1-OD1 3.45Å
46	R	21.7	Very low	27.1	Very low	221 Å²	221	116.6 Å²	116.6	83%	0.834	64%	0.635	S	S	*	*			trans	-85.9	104.3	167.1	-79.1	-177	175.9	-175.6	-0.7	107.7	T44	T44-R46 HydrophobicContact CG2-CG 3.8Å; T44-R46 PolarHBondContact O-N 2.97Å
47	A	24.8	Very low	28.6	Very low	57 Å²	57	116.3 Å²	116.3	47%	0.471	62%	0.623	S	S	.	*			trans	-67.9	130	165.5	0	0	0	0	0	108.9
48	P	24.4	Very low	30.4	Very low	81 Å²	81	110.7 Å²	110.7	53%	0.526	60%	0.602	S	S	.	*			trans	-71.6	145	174.6	-5.1	20.9	0	0	0	110.5	I50	P48-I50 HydrophobicContact CB-CD1 3.98Å; P48-I50 HydrophobicContact CB-CG1 3.86Å; P48-I50 HydrophobicContact CG-CD1 4.07Å; P48-I50 PolarHBondContact O-N 3.21Å
49	L	22.6	Very low	32.1	Very low	186 Å²	186	102.7 Å²	102.7	97%	0.974	57%	0.566	S	S	*	*			trans	-63.7	112	164.4	-80.1	153.6	0	0	0	108
50	I	26.7	Very low	34.3	Very low	64 Å²	64	98.1 Å²	98.1	33%	0.328	53%	0.526	S	S	.	.			trans	-134	130.8	178.4	-49.5	169.6	0	0	0	109.2	P48 I54 S58	P48-I50 HydrophobicContact CB-CD1 3.98Å; P48-I50 HydrophobicContact CB-CG1 3.86Å; P48-I50 HydrophobicContact CG-CD1 4.07Å; P48-I50 PolarHBondContact O-N 3.21Å; I50-I54 HydrophobicContact CG2-CB 4.19Å; I50-I54 HydrophobicContact CG2-CG2 4.08Å; I50-S58 WeakPolarHBondContact CD1-OG 3.43Å
51	T	27.2	Very low	36.8	Very low	112 Å²	112	100.5 Å²	100.5	69%	0.687	52%	0.52	S	S	*	.			trans	-51.2	142.1	176.7	45.8	0	0	0	0	112.8	Q53 I54 G55	T51-Q53 PolarHBondContact O-N 3.48Å; T51-I54 PolarHBondContact O-N 2.99Å; T51-G55 PolarHBondContact O-N 3.12Å
52	E	35.6	Very low	39.1	Very low	188 Å²	188	96.3 Å²	96.3	88%	0.879	49%	0.493	S	S	*	.	H	α-helix	trans	-45.3	-37.7	-151.6	-67.6	176.8	166.2	0	0	118.1
53	Q	33.9	Very low	41.2	Very low	170 Å²	170	89.7 Å²	89.7	79%	0.794	46%	0.46	S	S	*	.	H	α-helix	trans	-91.6	-41.8	-178.1	-74.9	-179.7	-7.4	0	0	114.4	T51 G55	T51-Q53 PolarHBondContact O-N 3.48Å; Q53-G55 VanDerWaalsContact C-N 3.29Å
54	I	30.8	Very low	44	Very low	123 Å²	123	83.4 Å²	83.4	63%	0.631	43%	0.427	S	S	*	.	H	α-helix	trans	-74.8	-27.7	178.2	-62.3	171	0	0	0	110.3	I50 T51 S58	I50-I54 HydrophobicContact CG2-CB 4.19Å; I50-I54 HydrophobicContact CG2-CG2 4.08Å; T51-I54 PolarHBondContact O-N 2.99Å; I54-S58 PolarHBondContact O-N 3.41Å; I54-S58 PolarHBondContact O-OG 2.95Å
55	G	40.2	Very low	46.7	Very low	6 Å²	6	83.6 Å²	83.6	6%	0.062	42%	0.424	C	S	.	.	H	α-helix	trans	-71.1	-34.8	177	0	0	0	0	0	113.6	T51 Q53 S58 T59	T51-G55 PolarHBondContact O-N 3.12Å; Q53-G55 VanDerWaalsContact C-N 3.29Å; G55-S58 WeakPolarHBondContact CA-OG 3.25Å; G55-S58 PolarHBondContact O-OG 3.44Å; G55-T59 WeakPolarHBondContact O-CB 3.22Å; G55-T59 PolarHBondContact O-N 3.05Å; G55-T59 PolarHBondContact O-OG1 2.91Å
56	F	49.7	Very low	48.9	Very low	51 Å²	51	80.8 Å²	80.8	22%	0.224	41%	0.41	C	S	.	.	H	α-helix	trans	-62.7	-52.3	176.8	-174.1	-104.9	0	0	0	111.1	S58 T59 F60 T135 W139	F56-S58 PolarHBondContact O-N 2.9Å; F56-T59 PolarHBondContact O-N 3.03Å; F56-F60 WeakPolarHBondContact O-CB 3.22Å; F56-F60 PolarHBondContact O-N 3.41Å; F56-T135 HydrophobicContact CE1-CG2 4.35Å; F56-T135 HydrophobicContact CZ-CG2 4.45Å; F56-W139 HydrophobicContact CD2-CZ2 4.21Å; F56-W139 AromaticContact CE2-CE2 3.87Å; F56-W139 HydrophobicContact CE2-CH2 4.23Å; F56-W139 AromaticContact CE2-CZ2 3.5Å; F56-W139 HydrophobicContact CE2-CZ2 3.5Å; F56-W139 HydrophobicContact CZ-CZ2 4.47Å
57	I	55.1	Low	51.5	Low	109 Å²	109	70.3 Å²	70.3	56%	0.559	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-45.8	-178	-62.4	171.1	0	0	0	111.8	R61	I57-R61 WeakPolarHBondContact O-CB 3.42Å; I57-R61 WeakPolarHBondContact O-CG 3.44Å; I57-R61 PolarHBondContact O-N 3.01Å
58	S	60.9	Low	54.2	Low	48 Å²	48	67.8 Å²	67.8	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-68.4	-37.7	-178.7	48.9	0	0	0	0	112.7	I50 I54 G55 F56 L62	I50-S58 WeakPolarHBondContact CD1-OG 3.43Å; I54-S58 PolarHBondContact O-N 3.41Å; I54-S58 PolarHBondContact O-OG 2.95Å; G55-S58 WeakPolarHBondContact CA-OG 3.25Å; G55-S58 PolarHBondContact O-OG 3.44Å; F56-S58 PolarHBondContact O-N 2.9Å; S58-L62 PolarHBondContact O-N 3.48Å
59	T	62	Low	56.9	Low	16 Å²	16	68.3 Å²	68.3	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-78.6	-35.9	179	-47.6	0	0	0	0	111.8	G55 F56 L62 I63 L151	G55-T59 WeakPolarHBondContact O-CB 3.22Å; G55-T59 PolarHBondContact O-N 3.05Å; G55-T59 PolarHBondContact O-OG1 2.91Å; F56-T59 PolarHBondContact O-N 3.03Å; T59-L62 WeakPolarHBondContact O-CB 3.43Å; T59-L62 PolarHBondContact O-N 2.86Å; T59-L62 VanDerWaalsContact O-N 3.17Å; T59-I63 PolarHBondContact O-N 3.44Å; T59-L151 HydrophobicContact CG2-CB 3.49Å; T59-L151 VanDerWaalsContact CG2-CB 3.49Å; T59-L151 HydrophobicContact CG2-CD1 3.32Å; T59-L151 HydrophobicContact CG2-CG 3.98Å
60	F	68.4	Low	59.2	Low	16 Å²	16	60.7 Å²	60.7	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-48.5	172.9	-179.4	-113.1	0	0	0	111.1	F56 L62 I63 L64 H124 M138 L142	F56-F60 WeakPolarHBondContact O-CB 3.22Å; F56-F60 PolarHBondContact O-N 3.41Å; F60-L62 VanDerWaalsContact C-N 3.29Å; F60-L62 PolarHBondContact O-N 2.94Å; F60-I63 PolarHBondContact O-N 3.19Å; F60-I63 VanDerWaalsContact O-N 3.12Å; F60-L64 HydrophobicContact CD1-CD1 3.85Å; F60-L64 HydrophobicContact CD1-CG 4.47Å; F60-L64 HydrophobicContact CE1-CD1 3.34Å; F60-L64 HydrophobicContact CE1-CG 4.08Å; F60-L64 HydrophobicContact CE2-CD1 4.4Å; F60-L64 HydrophobicContact CE2-CD2 4.41Å; F60-L64 HydrophobicContact CE2-CG 4.29Å; F60-L64 HydrophobicContact CZ-CD1 3.63Å; F60-L64 HydrophobicContact CZ-CD2 4.07Å; F60-L64 HydrophobicContact CZ-CG 3.95Å; F60-L64 PolarHBondContact O-N 3.32Å; F60-H124 HydrophobicContact CE1-CB 4.11Å; F60-H124 HydrophobicContact CZ-CB 4.25Å; F60-M138 HydrophobicContact CD1-CE 3.94Å; F60-M138 HydrophobicContact CD2-CE 4.07Å; F60-M138 HydrophobicContact CE1-CE 3.27Å; F60-M138 HydrophobicContact CE2-CE 3.46Å; F60-M138 VanDerWaalsContact CE2-CE 3.46Å; F60-M138 HydrophobicContact CG-CE 4.3Å; F60-M138 HydrophobicContact CZ-CE 3.03Å; F60-L142 HydrophobicContact CD2-CD1 3.97Å; F60-L142 HydrophobicContact CE2-CD1 4.05Å; F60-L142 HydrophobicContact CE2-CD2 4.21Å; F60-L142 HydrophobicContact CE2-CG 4.28Å
61	R	74.8	Confident	61.7	Low	97 Å²	97	58.4 Å²	58.4	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-56.8	-42.2	173.9	-72.4	176.3	70.6	79.7	4.5	112.3	I57 I63 L64 M65	I57-R61 WeakPolarHBondContact O-CB 3.42Å; I57-R61 WeakPolarHBondContact O-CG 3.44Å; I57-R61 PolarHBondContact O-N 3.01Å; R61-I63 VanDerWaalsContact C-N 3.31Å; R61-I63 PolarHBondContact O-N 3.45Å; R61-L64 PolarHBondContact O-N 2.81Å; R61-M65 WeakPolarHBondContact O-CG 3.41Å; R61-M65 PolarHBondContact O-N 3.35Å
62	L	70.1	Confident	64.3	Low	52 Å²	52	53.7 Å²	53.7	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-36.8	178.6	-176	65.1	0	0	0	112.3	I45 S58 T59 F60 M65 N66	I45-L62 HydrophobicContact CG2-CD2 3.81Å; S58-L62 PolarHBondContact O-N 3.48Å; T59-L62 WeakPolarHBondContact O-CB 3.43Å; T59-L62 PolarHBondContact O-N 2.86Å; T59-L62 VanDerWaalsContact O-N 3.17Å; F60-L62 VanDerWaalsContact C-N 3.29Å; F60-L62 PolarHBondContact O-N 2.94Å; L62-M65 PolarHBondContact O-N 3.14Å; L62-N66 PolarHBondContact O-N 3.37Å; L62-N66 VanDerWaalsContact O-N 3.11Å; L62-N66 PolarHBondContact O-ND2 3.15Å
63	I	68.4	Low	66.2	Low	5 Å²	5	50 Å²	50	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-70.2	-45.1	175.7	-68.4	157.4	0	0	0	111.1	T59 F60 R61 M65 N66 I67 L142 C147 L151	T59-I63 PolarHBondContact O-N 3.44Å; F60-I63 PolarHBondContact O-N 3.19Å; F60-I63 VanDerWaalsContact O-N 3.12Å; R61-I63 VanDerWaalsContact C-N 3.31Å; R61-I63 PolarHBondContact O-N 3.45Å; I63-M65 PolarHBondContact O-N 3.17Å; I63-N66 CarbonylContact O-C 3.51Å; I63-N66 WeakPolarHBondContact O-CA 3.47Å; I63-N66 WeakPolarHBondContact O-CB 3.18Å; I63-N66 PolarHBondContact O-N 3.44Å; I63-I67 HydrophobicContact CG2-CD1 3.67Å; I63-I67 HydrophobicContact CG2-CG1 4.08Å; I63-I67 WeakPolarHBondContact O-CG1 3.48Å; I63-I67 PolarHBondContact O-N 3Å; I63-L142 HydrophobicContact CB-CD2 4.35Å; I63-L142 HydrophobicContact CG2-CD2 3.5Å; I63-L142 VanDerWaalsContact CG2-CD2 3.5Å; I63-C147 WeakPolarHBondContact CD1-SG 3.15Å; I63-C147 HydrophobicContact CG2-CB 4.42Å; I63-L151 HydrophobicContact CD1-CB 3.45Å; I63-L151 VanDerWaalsContact CD1-CB 3.45Å; I63-L151 HydrophobicContact CD1-CD2 3.19Å; I63-L151 HydrophobicContact CD1-CG 3.84Å; I63-L151 HydrophobicContact CG1-CB 4.45Å
64	L	79.4	Confident	68.4	Low	3 Å²	3	46.7 Å²	46.7	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-57.2	-37.9	174.8	-71	177.6	0	0	0	111.9	F60 R61 I67 F68 F120 L121 H124	F60-L64 HydrophobicContact CD1-CD1 3.85Å; F60-L64 HydrophobicContact CD1-CG 4.47Å; F60-L64 HydrophobicContact CE1-CD1 3.34Å; F60-L64 HydrophobicContact CE1-CG 4.08Å; F60-L64 HydrophobicContact CE2-CD1 4.4Å; F60-L64 HydrophobicContact CE2-CD2 4.41Å; F60-L64 HydrophobicContact CE2-CG 4.29Å; F60-L64 HydrophobicContact CZ-CD1 3.63Å; F60-L64 HydrophobicContact CZ-CD2 4.07Å; F60-L64 HydrophobicContact CZ-CG 3.95Å; F60-L64 PolarHBondContact O-N 3.32Å; R61-L64 PolarHBondContact O-N 2.81Å; L64-I67 HydrophobicContact CD2-CD1 4.36Å; L64-I67 PolarHBondContact O-N 3.1Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.06Å; L64-F68 PolarHBondContact O-N 3.33Å; L64-F120 HydrophobicContact CB-CE1 4.04Å; L64-F120 HydrophobicContact CD2-CE1 3.94Å; L64-F120 HydrophobicContact CD2-CZ 4.42Å; L64-L121 HydrophobicContact CB-CD2 3.46Å; L64-L121 VanDerWaalsContact CB-CD2 3.46Å; L64-L121 HydrophobicContact CD1-CD2 3.8Å; L64-L121 HydrophobicContact CG-CD2 4.33Å; L64-H124 HydrophobicContact CD1-CB 3.45Å; L64-H124 VanDerWaalsContact CD1-CB 3.45Å; L64-H124 HydrophobicContact CD2-CB 4.3Å
65	M	80.7	Confident	70.9	Confident	73 Å²	73	47.2 Å²	47.2	36%	0.36	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-44.5	171.7	-68.9	170.5	68.1	0	0	111.9	R61 L62 I63 I67 F68 D69 L117 L121	R61-M65 WeakPolarHBondContact O-CG 3.41Å; R61-M65 PolarHBondContact O-N 3.35Å; L62-M65 PolarHBondContact O-N 3.14Å; I63-M65 PolarHBondContact O-N 3.17Å; M65-I67 PolarHBondContact O-N 3.27Å; M65-F68 WeakPolarHBondContact O-CB 3.3Å; M65-F68 PolarHBondContact O-N 2.94Å; M65-D69 VanDerWaalsContact O-CG 3.25Å; M65-D69 PolarHBondContact O-N 3.01Å; M65-L117 HydrophobicContact CB-CD1 4.43Å; M65-L117 HydrophobicContact CE-CD2 4.43Å; M65-L117 HydrophobicContact CG-CD1 4Å; M65-L117 HydrophobicContact CG-CD2 4.21Å; M65-L121 HydrophobicContact CG-CD1 4.22Å; M65-L121 HydrophobicContact CG-CD2 4.42Å
66	N	70.5	Confident	73.2	Confident	18 Å²	18	49.7 Å²	49.7	10%	0.096	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-38.2	175.4	-71.1	-57	0	0	0	112.5	I45 L62 I63 D69 L70	I45-N66 VanDerWaalsContact CD1-OD1 3.32Å; I45-N66 WeakPolarHBondContact CD1-OD1 3.45Å; L62-N66 PolarHBondContact O-N 3.37Å; L62-N66 VanDerWaalsContact O-N 3.11Å; L62-N66 PolarHBondContact O-ND2 3.15Å; I63-N66 CarbonylContact O-C 3.51Å; I63-N66 WeakPolarHBondContact O-CA 3.47Å; I63-N66 WeakPolarHBondContact O-CB 3.18Å; I63-N66 PolarHBondContact O-N 3.44Å; N66-D69 PolarHBondContact O-N 2.9Å; N66-L70 WeakPolarHBondContact O-CB 3.45Å; N66-L70 WeakPolarHBondContact O-CD1 3.12Å; N66-L70 WeakPolarHBondContact O-CG 3.28Å; N66-L70 PolarHBondContact O-N 3.18Å
67	I	75.6	Confident	75.1	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-46.2	176.8	-68.4	169.4	0	0	0	109.6	I63 L64 M65 D69 L70 C71 Y87 F120 L142 I145	I63-I67 HydrophobicContact CG2-CD1 3.67Å; I63-I67 HydrophobicContact CG2-CG1 4.08Å; I63-I67 WeakPolarHBondContact O-CG1 3.48Å; I63-I67 PolarHBondContact O-N 3Å; L64-I67 HydrophobicContact CD2-CD1 4.36Å; L64-I67 PolarHBondContact O-N 3.1Å; M65-I67 PolarHBondContact O-N 3.27Å; I67-D69 PolarHBondContact O-N 3.42Å; I67-L70 WeakPolarHBondContact O-CA 3.39Å; I67-L70 WeakPolarHBondContact O-CB 3.48Å; I67-L70 PolarHBondContact O-N 2.76Å; I67-C71 PolarHBondContact O-N 3.01Å; I67-C71 PolarHBondContact O-SG 3.45Å; I67-Y87 HydrophobicContact CG2-CD2 3.67Å; I67-Y87 HydrophobicContact CG2-CE2 3.92Å; I67-F120 HydrophobicContact CG2-CZ 4.13Å; I67-L142 HydrophobicContact CD1-CD2 3.92Å; I67-I145 HydrophobicContact CD1-CB 4.48Å; I67-I145 HydrophobicContact CD1-CD1 3.65Å; I67-I145 HydrophobicContact CD1-CG2 4.33Å; I67-I145 HydrophobicContact CG1-CD1 4.05Å; I67-I145 HydrophobicContact CG1-CG2 3.87Å; I67-I145 HydrophobicContact CG2-CD1 3.74Å
68	F	82.4	Confident	76.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-56.2	-51.7	175.6	-175.9	-83.2	0	0	0	111.1	L64 M65 L70 C71 D72 G77 L79 L115 L117 F120	L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.06Å; L64-F68 PolarHBondContact O-N 3.33Å; M65-F68 WeakPolarHBondContact O-CB 3.3Å; M65-F68 PolarHBondContact O-N 2.94Å; F68-L70 PolarHBondContact O-N 3.08Å; F68-L70 VanDerWaalsContact O-N 3.13Å; F68-C71 PolarHBondContact O-N 3.02Å; F68-D72 HydrophobicContact CE1-CB 4.44Å; F68-D72 WeakPolarHBondContact O-CB 3.33Å; F68-D72 PolarHBondContact O-N 2.84Å; F68-G77 WeakPolarHBondContact CZ-O 3.29Å; F68-L79 HydrophobicContact CD2-CD1 3.8Å; F68-L79 HydrophobicContact CD2-CD2 4.36Å; F68-L79 HydrophobicContact CD2-CG 3.9Å; F68-L79 HydrophobicContact CE2-CD1 3.92Å; F68-L79 HydrophobicContact CE2-CD2 4.21Å; F68-L79 HydrophobicContact CE2-CG 3.57Å; F68-L79 HydrophobicContact CZ-CD2 4.38Å; F68-L79 HydrophobicContact CZ-CG 4.08Å; F68-L115 WeakPolarHBondContact CE2-O 3.08Å; F68-L117 HydrophobicContact CB-CD1 3.7Å; F68-L117 HydrophobicContact CD1-CB 4.07Å; F68-L117 HydrophobicContact CD1-CD1 3.95Å; F68-L117 HydrophobicContact CD1-CG 4.49Å; F68-L117 HydrophobicContact CD2-CB 4.25Å; F68-L117 HydrophobicContact CD2-CD1 3.97Å; F68-L117 HydrophobicContact CE1-CB 3.89Å; F68-L117 VanDerWaalsContact CE2-CA 3.41Å; F68-L117 HydrophobicContact CE2-CB 4.04Å; F68-L117 VanDerWaalsContact CE2-N 3.29Å; F68-L117 HydrophobicContact CG-CB 4.24Å; F68-L117 HydrophobicContact CG-CD1 3.59Å; F68-L117 HydrophobicContact CG-CG 4.49Å; F68-L117 HydrophobicContact CZ-CB 3.86Å; F68-F120 HydrophobicContact CB-CD1 4.17Å; F68-F120 HydrophobicContact CB-CE1 4.26Å; F68-F120 HydrophobicContact CD2-CB 3.76Å; F68-F120 AromaticContact CD2-CD1 3.94Å; F68-F120 HydrophobicContact CD2-CD1 3.94Å; F68-F120 HydrophobicContact CD2-CD2 4.3Å; F68-F120 AromaticContact CD2-CG 3.75Å; F68-F120 HydrophobicContact CD2-CG 3.75Å; F68-F120 HydrophobicContact CE2-CB 4.04Å; F68-F120 HydrophobicContact CE2-CG 4.45Å
69	D	79.2	Confident	78.4	Confident	92 Å²	92	42.4 Å²	42.4	49%	0.492	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-24.4	177.1	-68.8	-9.1	0	0	0	113	M65 N66 I67	M65-D69 VanDerWaalsContact O-CG 3.25Å; M65-D69 PolarHBondContact O-N 3.01Å; N66-D69 PolarHBondContact O-N 2.9Å; I67-D69 PolarHBondContact O-N 3.42Å
70	L	71.5	Confident	79.8	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-83.5	-28.8	176.8	-74.3	166.7	0	0	0	112.9	N66 I67 F68 L153 I172 T178	N66-L70 WeakPolarHBondContact O-CB 3.45Å; N66-L70 WeakPolarHBondContact O-CD1 3.12Å; N66-L70 WeakPolarHBondContact O-CG 3.28Å; N66-L70 PolarHBondContact O-N 3.18Å; I67-L70 WeakPolarHBondContact O-CA 3.39Å; I67-L70 WeakPolarHBondContact O-CB 3.48Å; I67-L70 PolarHBondContact O-N 2.76Å; F68-L70 PolarHBondContact O-N 3.08Å; F68-L70 VanDerWaalsContact O-N 3.13Å; L70-L153 HydrophobicContact CD1-CD1 4.01Å; L70-I172 HydrophobicContact CD1-CD1 3.53Å; L70-I172 HydrophobicContact CD1-CG1 4.26Å; L70-I172 HydrophobicContact CD2-CD1 3.67Å; L70-I172 HydrophobicContact CG-CD1 4.12Å; L70-T178 HydrophobicContact CD2-CG2 3.73Å; L70-T178 WeakPolarHBondContact CD2-OG1 3.3Å
71	C	78.6	Confident	81.1	Confident	16 Å²	16	45.4 Å²	45.4	11%	0.108	25%	0.246	C	C	.	.	H	α-helix	trans	-86.9	-26.2	178.2	-70.2	0	0	0	0	112.3	I67 F68 L73 L79 E83	I67-C71 PolarHBondContact O-N 3.01Å; I67-C71 PolarHBondContact O-SG 3.45Å; F68-C71 PolarHBondContact O-N 3.02Å; C71-L73 VanDerWaalsContact C-N 3.32Å; C71-L73 WeakPolarHBondContact O-CG 3.43Å; C71-L73 PolarHBondContact O-N 3.26Å; C71-L79 HydrophobicContact CB-CD1 4.18Å; C71-L79 HydrophobicContact CB-CD2 3.73Å; C71-E83 VanDerWaalsContact O-CB 3.32Å; C71-E83 WeakPolarHBondContact O-CB 3.22Å; C71-E83 VanDerWaalsContact O-CG 3.27Å; C71-E83 WeakPolarHBondContact O-CG 3.02Å
72	D	82.2	Confident	81.8	Confident	13 Å²	13	47.2 Å²	47.2	7%	0.07	26%	0.258	C	S	.	.			trans	-72.8	83.2	173.8	-177	2.9	0	0	0	109.7	F68 D74 N75 S76 G77 L79	F68-D72 HydrophobicContact CE1-CB 4.44Å; F68-D72 WeakPolarHBondContact O-CB 3.33Å; F68-D72 PolarHBondContact O-N 2.84Å; D72-D74 VanDerWaalsContact C-N 3.32Å; D72-D74 VanDerWaalsContact OD1-OD1 3.07Å; D72-N75 WeakPolarHBondContact OD1-CA 3.38Å; D72-N75 PolarHBondContact OD1-N 3.45Å; D72-N75 WeakPolarHBondContact OD2-CA 3.27Å; D72-S76 PolarHBondContact OD1-N 2.81Å; D72-S76 PolarHBondContact OD2-N 3.09Å; D72-G77 VanDerWaalsContact OD2-CA 3.28Å; D72-G77 WeakPolarHBondContact OD2-CA 3.49Å; D72-G77 PolarHBondContact OD2-N 3.23Å; D72-L79 HydrophobicContact CB-CD2 3.87Å; D72-L79 VanDerWaalsContact N-CD2 3.35Å
73	L	76.2	Confident	82.7	Confident	112 Å²	112	45.3 Å²	45.3	59%	0.586	25%	0.248	S	C	*	.	S	Bend	trans	-73	-28.5	-171.8	-62.6	-172.9	0	0	0	111.8	C71 E83 L86	C71-L73 VanDerWaalsContact C-N 3.32Å; C71-L73 WeakPolarHBondContact O-CG 3.43Å; C71-L73 PolarHBondContact O-N 3.26Å; L73-E83 HydrophobicContact CB-CG 4.41Å; L73-E83 WeakPolarHBondContact CB-OE1 3.48Å; L73-E83 HydrophobicContact CG-CG 4.2Å; L73-E83 PolarHBondContact N-OE1 3.4Å; L73-L86 HydrophobicContact CD1-CD1 3.5Å; L73-L86 HydrophobicContact CG-CD1 4.21Å
74	D	80.6	Confident	83.8	Confident	100 Å²	100	45.3 Å²	45.3	54%	0.535	25%	0.248	S	C	.	.	S	Bend	trans	-96.1	-4.5	179.6	76.3	-1.8	0	0	0	114.1	D72 S76 E83	D72-D74 VanDerWaalsContact C-N 3.32Å; D72-D74 VanDerWaalsContact OD1-OD1 3.07Å; D74-S76 VanDerWaalsContact C-N 3.27Å; D74-S76 WeakPolarHBondContact OD1-CB 3.49Å; D74-S76 PolarHBondContact OD1-N 3.32Å; D74-S76 PolarHBondContact OD1-OG 2.8Å; D74-E83 PolarHBondContact N-OE1 3.41Å
75	N	83.1	Confident	84.2	Confident	134 Å²	134	46.5 Å²	46.5	72%	0.717	25%	0.254	S	S	*	.			trans	59.1	34.4	-175.8	-54.5	-97.5	0	0	0	112.7	D72 G77	D72-N75 WeakPolarHBondContact OD1-CA 3.38Å; D72-N75 PolarHBondContact OD1-N 3.45Å; D72-N75 WeakPolarHBondContact OD2-CA 3.27Å; N75-G77 PolarHBondContact O-N 3Å
76	S	88.2	Confident	84.1	Confident	58 Å²	58	46.1 Å²	46.1	41%	0.406	25%	0.253	S	S	.	.	S	Bend	trans	-71.9	-17.9	177.2	61.3	0	0	0	0	112.9	D72 D74 S78	D72-S76 PolarHBondContact OD1-N 2.81Å; D72-S76 PolarHBondContact OD2-N 3.09Å; D74-S76 VanDerWaalsContact C-N 3.27Å; D74-S76 WeakPolarHBondContact OD1-CB 3.49Å; D74-S76 PolarHBondContact OD1-N 3.32Å; D74-S76 PolarHBondContact OD1-OG 2.8Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact OG-N 3.49Å; S76-S78 PolarHBondContact OG-O 2.8Å; S76-S78 PolarHBondContact OG-OG 3.43Å; S76-S78 VanDerWaalsContact OG-OG 3.09Å
77	G	89.4	Confident	84.7	Confident	41 Å²	41	45.8 Å²	45.8	42%	0.423	25%	0.251	S	S	.	.	S	Bend	trans	82.5	12.5	-170.3	0	0	0	0	0	113.2	F68 D72 N75	F68-G77 WeakPolarHBondContact CZ-O 3.29Å; D72-G77 VanDerWaalsContact OD2-CA 3.28Å; D72-G77 WeakPolarHBondContact OD2-CA 3.49Å; D72-G77 PolarHBondContact OD2-N 3.23Å; N75-G77 PolarHBondContact O-N 3Å
78	S	93.4	Very high	85.1	Confident	14 Å²	14	47.3 Å²	47.3	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.1	-178.5	47.4	0	0	0	0	110.6	S76 E114 L115	S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact OG-N 3.49Å; S76-S78 PolarHBondContact OG-O 2.8Å; S76-S78 PolarHBondContact OG-OG 3.43Å; S76-S78 VanDerWaalsContact OG-OG 3.09Å; S78-E114 PolarHBondContact OG-OE2 2.95Å; S78-L115 CarbonylContact C-O 3.37Å; S78-L115 WeakPolarHBondContact CA-O 3.26Å
79	L	91.3	Very high	84.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.1	175.8	-55.4	-179.7	0	0	0	109.6	F68 C71 D72 E83 F84 E114 L115 F120	F68-L79 HydrophobicContact CD2-CD1 3.8Å; F68-L79 HydrophobicContact CD2-CD2 4.36Å; F68-L79 HydrophobicContact CD2-CG 3.9Å; F68-L79 HydrophobicContact CE2-CD1 3.92Å; F68-L79 HydrophobicContact CE2-CD2 4.21Å; F68-L79 HydrophobicContact CE2-CG 3.57Å; F68-L79 HydrophobicContact CZ-CD2 4.38Å; F68-L79 HydrophobicContact CZ-CG 4.08Å; C71-L79 HydrophobicContact CB-CD1 4.18Å; C71-L79 HydrophobicContact CB-CD2 3.73Å; D72-L79 HydrophobicContact CB-CD2 3.87Å; D72-L79 VanDerWaalsContact N-CD2 3.35Å; L79-E83 HydrophobicContact CB-CB 4.14Å; L79-E83 HydrophobicContact CD2-CB 4.12Å; L79-F84 HydrophobicContact CB-CB 4.34Å; L79-F84 HydrophobicContact CD1-CD2 4.36Å; L79-E114 CarbonylContact O-C 3.49Å; L79-E114 VanDerWaalsContact O-CA 3.22Å; L79-E114 WeakPolarHBondContact O-CA 3.17Å; L79-L115 HydrophobicContact CB-CB 4.47Å; L79-L115 PolarHBondContact N-O 2.99Å; L79-L115 PolarHBondContact O-N 2.85Å; L79-F120 HydrophobicContact CD1-CD2 4.05Å; L79-F120 HydrophobicContact CD1-CE2 4.21Å
80	S	92.8	Very high	84.2	Confident	23 Å²	23	47.9 Å²	47.9	16%	0.161	26%	0.258	C	S	.	.			trans	-56.6	167.2	161.4	59.9	0	0	0	0	111.4	E82 E83 F84	S80-E82 PolarHBondContact O-N 2.96Å; S80-E83 WeakPolarHBondContact CB-OE2 3.32Å; S80-E83 PolarHBondContact N-OE2 2.84Å; S80-E83 PolarHBondContact O-N 3.34Å; S80-E83 WeakPolarHBondContact OG-CB 3.31Å; S80-E83 VanDerWaalsContact OG-CD 3.29Å; S80-E83 VanDerWaalsContact OG-CG 3.26Å; S80-E83 WeakPolarHBondContact OG-CG 3.32Å; S80-E83 PolarHBondContact OG-N 2.97Å; S80-E83 PolarHBondContact OG-OE2 3.06Å; S80-F84 WeakPolarHBondContact O-CB 3.4Å; S80-F84 PolarHBondContact O-N 3.43Å
81	R	93.9	Very high	84.2	Confident	71 Å²	71	48.1 Å²	48.1	27%	0.268	26%	0.261	S	S	.	.	H	α-helix	trans	-56.1	-42.1	174.3	-176.7	178	179.2	173.2	-3.9	111.1	F84 N85 V96 D98 W101	R81-F84 PolarHBondContact O-N 2.99Å; R81-N85 WeakPolarHBondContact O-CB 3.38Å; R81-N85 PolarHBondContact O-N 3.03Å; R81-V96 HydrophobicContact CG-CG1 4.37Å; R81-V96 PolarHBondContact NH2-O 3.34Å; R81-D98 IonicContact CZ-OD1 3.2Å; R81-D98 IonicContact NH1-OD1 2.78Å; R81-D98 PolarHBondContact NH1-OD1 3.04Å; R81-D98 IonicContact NH2-OD1 2.76Å; R81-D98 PolarHBondContact NH2-OD1 3.42Å; R81-W101 HydrophobicContact CB-CD2 4.14Å; R81-W101 HydrophobicContact CB-CH2 4.31Å; R81-W101 HydrophobicContact CB-CZ2 3.68Å; R81-W101 HydrophobicContact CG-CD2 3.8Å; R81-W101 HydrophobicContact CG-CE3 4.35Å; R81-W101 HydrophobicContact CG-CG 3.96Å; R81-W101 HydrophobicContact CG-CZ2 4.27Å
82	E	91.2	Very high	83.9	Confident	136 Å²	136	49.5 Å²	49.5	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-64.3	-42.7	-179.2	-67.3	71.2	-158.7	0	0	111.2	S80 N85 L86	S80-E82 PolarHBondContact O-N 2.96Å; E82-N85 WeakPolarHBondContact O-CB 3.4Å; E82-N85 PolarHBondContact O-N 2.97Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.48Å
83	E	88.2	Confident	83.4	Confident	11 Å²	11	55.9 Å²	55.9	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-39	176.7	-71.7	166	142.5	0	0	112.8	C71 L73 D74 L79 S80 N85 L86 Y87	C71-E83 VanDerWaalsContact O-CB 3.32Å; C71-E83 WeakPolarHBondContact O-CB 3.22Å; C71-E83 VanDerWaalsContact O-CG 3.27Å; C71-E83 WeakPolarHBondContact O-CG 3.02Å; L73-E83 HydrophobicContact CB-CG 4.41Å; L73-E83 WeakPolarHBondContact CB-OE1 3.48Å; L73-E83 HydrophobicContact CG-CG 4.2Å; L73-E83 PolarHBondContact N-OE1 3.4Å; D74-E83 PolarHBondContact N-OE1 3.41Å; L79-E83 HydrophobicContact CB-CB 4.14Å; L79-E83 HydrophobicContact CD2-CB 4.12Å; S80-E83 WeakPolarHBondContact CB-OE2 3.32Å; S80-E83 PolarHBondContact N-OE2 2.84Å; S80-E83 PolarHBondContact O-N 3.34Å; S80-E83 WeakPolarHBondContact OG-CB 3.31Å; S80-E83 VanDerWaalsContact OG-CD 3.29Å; S80-E83 VanDerWaalsContact OG-CG 3.26Å; S80-E83 WeakPolarHBondContact OG-CG 3.32Å; S80-E83 PolarHBondContact OG-N 2.97Å; S80-E83 PolarHBondContact OG-OE2 3.06Å; E83-N85 VanDerWaalsContact C-N 3.32Å; E83-L86 WeakPolarHBondContact O-CB 3.35Å; E83-L86 PolarHBondContact O-N 3.48Å; E83-Y87 PolarHBondContact O-N 3.5Å
84	F	90.8	Very high	83.6	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-36.1	172.3	-174.5	-95.1	0	0	0	111.5	L79 S80 R81 L86 Y87 N88 V96 W101 L104 L115 F120 L123	L79-F84 HydrophobicContact CB-CB 4.34Å; L79-F84 HydrophobicContact CD1-CD2 4.36Å; S80-F84 WeakPolarHBondContact O-CB 3.4Å; S80-F84 PolarHBondContact O-N 3.43Å; R81-F84 PolarHBondContact O-N 2.99Å; F84-L86 VanDerWaalsContact C-N 3.25Å; F84-L86 PolarHBondContact O-N 3.11Å; F84-Y87 HydrophobicContact CD2-CD1 4.29Å; F84-Y87 AromaticContact CE2-CD1 3.85Å; F84-Y87 HydrophobicContact CE2-CD1 3.85Å; F84-Y87 HydrophobicContact CE2-CE1 4.37Å; F84-Y87 HydrophobicContact CZ-CD1 4.14Å; F84-Y87 HydrophobicContact CZ-CE1 4.5Å; F84-Y87 CarbonylContact O-C 3.56Å; F84-Y87 WeakPolarHBondContact O-CA 3.43Å; F84-Y87 VanDerWaalsContact O-CB 3.28Å; F84-Y87 WeakPolarHBondContact O-CB 3.01Å; F84-Y87 PolarHBondContact O-N 2.95Å; F84-N88 HydrophobicContact CE1-CB 4.49Å; F84-N88 PolarHBondContact O-N 3.12Å; F84-V96 HydrophobicContact CD1-CB 4.36Å; F84-V96 HydrophobicContact CD1-CG1 4.32Å; F84-V96 HydrophobicContact CD1-CG2 4.28Å; F84-V96 HydrophobicContact CE1-CB 4.44Å; F84-V96 HydrophobicContact CE1-CG2 4.1Å; F84-W101 HydrophobicContact CB-CH2 4.06Å; F84-W101 HydrophobicContact CB-CZ3 3.64Å; F84-W101 AromaticContact CD1-CE3 3.94Å; F84-W101 HydrophobicContact CD1-CE3 3.94Å; F84-W101 AromaticContact CD1-CZ3 3.62Å; F84-W101 HydrophobicContact CD1-CZ3 3.62Å; F84-W101 HydrophobicContact CD2-CZ3 4.45Å; F84-W101 HydrophobicContact CE1-CZ3 4.42Å; F84-W101 HydrophobicContact CG-CE3 4.41Å; F84-W101 HydrophobicContact CG-CH2 4.46Å; F84-W101 AromaticContact CG-CZ3 3.63Å; F84-W101 HydrophobicContact CG-CZ3 3.63Å; F84-L104 HydrophobicContact CD1-CD1 4.34Å; F84-L104 HydrophobicContact CE1-CD1 3.64Å; F84-L104 HydrophobicContact CZ-CD1 3.81Å; F84-L115 HydrophobicContact CD2-CD2 3.71Å; F84-L115 HydrophobicContact CE2-CD2 3.75Å; F84-F120 HydrophobicContact CE2-CD2 4.29Å; F84-F120 HydrophobicContact CE2-CE2 4.3Å; F84-L123 HydrophobicContact CE2-CD2 4Å; F84-L123 HydrophobicContact CZ-CD2 3.97Å
85	N	87.5	Confident	83.9	Confident	28 Å²	28	58.6 Å²	58.6	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-34.7	173.6	-167.5	47.6	0	0	0	111.3	R81 E82 E83 Y87 N88 L89 E95 V96	R81-N85 WeakPolarHBondContact O-CB 3.38Å; R81-N85 PolarHBondContact O-N 3.03Å; E82-N85 WeakPolarHBondContact O-CB 3.4Å; E82-N85 PolarHBondContact O-N 2.97Å; E83-N85 VanDerWaalsContact C-N 3.32Å; N85-Y87 VanDerWaalsContact C-N 3.28Å; N85-Y87 PolarHBondContact O-N 2.8Å; N85-N88 PolarHBondContact O-N 2.71Å; N85-L89 VanDerWaalsContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CB 3.38Å; N85-L89 WeakPolarHBondContact O-CG 3.34Å; N85-L89 PolarHBondContact O-N 3.5Å; N85-E95 WeakPolarHBondContact OD1-CA 3.44Å; N85-E95 WeakPolarHBondContact OD1-CB 3.15Å; N85-V96 HydrophobicContact CB-CG1 3.92Å; N85-V96 PolarHBondContact OD1-N 3.31Å
86	L	79.5	Confident	84.3	Confident	65 Å²	65	52.5 Å²	52.5	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-35.8	170.2	-68.1	173.7	0	0	0	112	L73 E82 E83 F84 R90	L73-L86 HydrophobicContact CD1-CD1 3.5Å; L73-L86 HydrophobicContact CG-CD1 4.21Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.48Å; E83-L86 WeakPolarHBondContact O-CB 3.35Å; E83-L86 PolarHBondContact O-N 3.48Å; F84-L86 VanDerWaalsContact C-N 3.25Å; F84-L86 PolarHBondContact O-N 3.11Å; L86-R90 WeakPolarHBondContact O-CG 3.43Å
87	Y	83	Confident	84.5	Confident	10 Å²	10	53 Å²	53	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-51.4	171.3	167.6	-99.3	0	0	0	111.2	I67 E83 F84 N85 L89 R90 T91 F120 H124 I145	I67-Y87 HydrophobicContact CG2-CD2 3.67Å; I67-Y87 HydrophobicContact CG2-CE2 3.92Å; E83-Y87 PolarHBondContact O-N 3.5Å; F84-Y87 HydrophobicContact CD2-CD1 4.29Å; F84-Y87 AromaticContact CE2-CD1 3.85Å; F84-Y87 HydrophobicContact CE2-CD1 3.85Å; F84-Y87 HydrophobicContact CE2-CE1 4.37Å; F84-Y87 HydrophobicContact CZ-CD1 4.14Å; F84-Y87 HydrophobicContact CZ-CE1 4.5Å; F84-Y87 CarbonylContact O-C 3.56Å; F84-Y87 WeakPolarHBondContact O-CA 3.43Å; F84-Y87 VanDerWaalsContact O-CB 3.28Å; F84-Y87 WeakPolarHBondContact O-CB 3.01Å; F84-Y87 PolarHBondContact O-N 2.95Å; N85-Y87 VanDerWaalsContact C-N 3.28Å; N85-Y87 PolarHBondContact O-N 2.8Å; Y87-L89 PolarHBondContact O-N 3.28Å; Y87-R90 WeakPolarHBondContact O-CA 3.38Å; Y87-R90 VanDerWaalsContact O-CB 3.31Å; Y87-R90 WeakPolarHBondContact O-CB 3.27Å; Y87-R90 PolarHBondContact O-N 3.5Å; Y87-T91 HydrophobicContact CD2-CG2 4.12Å; Y87-T91 HydrophobicContact CE1-CG2 4.45Å; Y87-T91 HydrophobicContact CE2-CG2 3.45Å; Y87-T91 VanDerWaalsContact CE2-CG2 3.45Å; Y87-T91 PolarHBondContact O-N 2.95Å; Y87-T91 VanDerWaalsContact O-N 3.15Å; Y87-T91 PolarHBondContact O-OG1 3.31Å; Y87-F120 HydrophobicContact CD1-CE2 4.08Å; Y87-F120 HydrophobicContact CD2-CE2 4.23Å; Y87-F120 HydrophobicContact CD2-CZ 4.07Å; Y87-F120 HydrophobicContact CE1-CE2 4.2Å; Y87-F120 HydrophobicContact CE2-CE2 4.36Å; Y87-F120 AromaticContact CE2-CZ 3.97Å; Y87-F120 HydrophobicContact CE2-CZ 3.97Å; Y87-F120 HydrophobicContact CG-CE2 4.12Å; Y87-F120 HydrophobicContact CG-CZ 4.42Å; Y87-H124 AromaticContact CE1-NE2 3.81Å; Y87-H124 AromaticContact CZ-CE1 3.81Å; Y87-H124 AromaticContact CZ-NE2 3.27Å; Y87-H124 VanDerWaalsContact CZ-NE2 3.27Å; Y87-H124 PolarHBondContact OH-NE2 3.47Å; Y87-I145 HydrophobicContact CD2-CD1 3.91Å; Y87-I145 HydrophobicContact CE2-CD1 3.66Å
88	N	84.5	Confident	84.7	Confident	34 Å²	34	55.6 Å²	55.6	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-44.4	-175.3	-158.1	72.3	0	0	0	112.8	F84 N85 R90 T91 G92 E94 V96	F84-N88 HydrophobicContact CE1-CB 4.49Å; F84-N88 PolarHBondContact O-N 3.12Å; N85-N88 PolarHBondContact O-N 2.71Å; N88-R90 PolarHBondContact O-N 3.01Å; N88-R90 VanDerWaalsContact O-N 3.11Å; N88-T91 PolarHBondContact O-N 3.39Å; N88-G92 PolarHBondContact O-N 3.47Å; N88-E94 CarbonylContact C-O 3.44Å; N88-E94 PolarHBondContact ND2-O 2.97Å; N88-V96 HydrophobicContact CB-CB 4.33Å; N88-V96 PolarHBondContact ND2-N 2.95Å
89	L	74.4	Confident	84.7	Confident	62 Å²	62	59.2 Å²	59.2	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-23.8	174	-81.2	167.6	0	0	0	112.9	N85 Y87 E94 E95	N85-L89 VanDerWaalsContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CB 3.38Å; N85-L89 WeakPolarHBondContact O-CG 3.34Å; N85-L89 PolarHBondContact O-N 3.5Å; Y87-L89 PolarHBondContact O-N 3.28Å; L89-E94 PolarHBondContact N-O 3.09Å; L89-E95 HydrophobicContact CD1-CG 4.15Å; L89-E95 HydrophobicContact CD2-CG 3.75Å; L89-E95 HydrophobicContact CG-CG 4.08Å
90	R	68.1	Low	84.7	Confident	46 Å²	46	63.3 Å²	63.3	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-86.7	-34.7	-179.2	-61.1	-74	163.3	156	2.1	112.2	L86 Y87 N88 S144 I145 W173	L86-R90 WeakPolarHBondContact O-CG 3.43Å; Y87-R90 WeakPolarHBondContact O-CA 3.38Å; Y87-R90 VanDerWaalsContact O-CB 3.31Å; Y87-R90 WeakPolarHBondContact O-CB 3.27Å; Y87-R90 PolarHBondContact O-N 3.5Å; N88-R90 PolarHBondContact O-N 3.01Å; N88-R90 VanDerWaalsContact O-N 3.11Å; R90-S144 WeakPolarHBondContact O-CB 3.45Å; R90-S144 PolarHBondContact O-OG 2.72Å; R90-I145 HydrophobicContact CB-CG1 4.14Å; R90-W173 WeakPolarHBondContact CD-O 3.4Å; R90-W173 PolarHBondContact NH1-O 3.34Å
91	T	71.9	Confident	84.7	Confident	31 Å²	31	62.8 Å²	62.8	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-96.2	-31.4	-174.7	53.3	0	0	0	0	112.6	Y87 N88 I145	Y87-T91 HydrophobicContact CD2-CG2 4.12Å; Y87-T91 HydrophobicContact CE1-CG2 4.45Å; Y87-T91 HydrophobicContact CE2-CG2 3.45Å; Y87-T91 VanDerWaalsContact CE2-CG2 3.45Å; Y87-T91 PolarHBondContact O-N 2.95Å; Y87-T91 VanDerWaalsContact O-N 3.15Å; Y87-T91 PolarHBondContact O-OG1 3.31Å; N88-T91 PolarHBondContact O-N 3.39Å; T91-I145 HydrophobicContact CG2-CD1 3.5Å; T91-I145 VanDerWaalsContact CG2-CD1 3.5Å; T91-I145 HydrophobicContact CG2-CG1 4.08Å
92	G	72.2	Confident	84.6	Confident	44 Å²	44	65.4 Å²	65.4	45%	0.454	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-6.3	-176.2	0	0	0	0	0	116.4	N88 E94	N88-G92 PolarHBondContact O-N 3.47Å; G92-E94 PolarHBondContact O-N 2.77Å; G92-E94 VanDerWaalsContact O-N 3.14Å
93	D	70.5	Confident	84.6	Confident	148 Å²	148	63.9 Å²	63.9	79%	0.791	34%	0.337	S	S	*	.	S	Bend	trans	58.4	17	-173.6	-155.8	31.4	0	0	0	114.2
94	E	81.4	Confident	84.7	Confident	139 Å²	139	64.3 Å²	64.3	65%	0.65	34%	0.34	S	S	*	.	S	Bend	trans	-132.1	149.6	-180	-65.5	-173.3	174.7	0	0	110.6	N88 L89 G92	N88-E94 CarbonylContact C-O 3.44Å; N88-E94 PolarHBondContact ND2-O 2.97Å; L89-E94 PolarHBondContact N-O 3.09Å; G92-E94 PolarHBondContact O-N 2.77Å; G92-E94 VanDerWaalsContact O-N 3.14Å
95	E	87.5	Confident	84.7	Confident	130 Å²	130	67.1 Å²	67.1	61%	0.607	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-73.6	146.1	171.7	-67	-169.9	153.2	0	0	110.2	N85 L89 T97	N85-E95 WeakPolarHBondContact OD1-CA 3.44Å; N85-E95 WeakPolarHBondContact OD1-CB 3.15Å; L89-E95 HydrophobicContact CD1-CG 4.15Å; L89-E95 HydrophobicContact CD2-CG 3.75Å; L89-E95 HydrophobicContact CG-CG 4.08Å; E95-T97 PolarHBondContact O-N 3.18Å
96	V	89.9	Confident	84.8	Confident	6 Å²	6	73 Å²	73	4%	0.036	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-65.8	117.8	171.4	68.8	0	0	0	0	109.5	R81 F84 N85 N88 E100 W101	R81-V96 HydrophobicContact CG-CG1 4.37Å; R81-V96 PolarHBondContact NH2-O 3.34Å; F84-V96 HydrophobicContact CD1-CB 4.36Å; F84-V96 HydrophobicContact CD1-CG1 4.32Å; F84-V96 HydrophobicContact CD1-CG2 4.28Å; F84-V96 HydrophobicContact CE1-CB 4.44Å; F84-V96 HydrophobicContact CE1-CG2 4.1Å; N85-V96 HydrophobicContact CB-CG1 3.92Å; N85-V96 PolarHBondContact OD1-N 3.31Å; N88-V96 HydrophobicContact CB-CB 4.33Å; N88-V96 PolarHBondContact ND2-N 2.95Å; V96-E100 HydrophobicContact CG2-CB 3.82Å; V96-W101 HydrophobicContact CG2-CB 4.22Å; V96-W101 HydrophobicContact CG2-CE3 4.49Å
97	T	93.4	Very high	85.3	Confident	67 Å²	67	75 Å²	75	41%	0.411	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-68.2	159.1	179.5	64.2	0	0	0	0	111.1	E95 T99 E100 W101	E95-T97 PolarHBondContact O-N 3.18Å; T97-T99 PolarHBondContact O-N 3.44Å; T97-E100 WeakPolarHBondContact CB-OE2 3.45Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.44Å; T97-E100 PolarHBondContact N-OE2 2.86Å; T97-E100 PolarHBondContact O-N 2.87Å; T97-E100 WeakPolarHBondContact OG1-CB 3.47Å; T97-E100 WeakPolarHBondContact OG1-CG 3.47Å; T97-E100 PolarHBondContact OG1-N 2.94Å; T97-E100 PolarHBondContact OG1-OE2 2.74Å; T97-W101 WeakPolarHBondContact O-CB 3.36Å; T97-W101 PolarHBondContact O-N 2.82Å
98	D	93.6	Very high	85.6	Confident	96 Å²	96	75.7 Å²	75.7	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-54.7	-43.7	174.3	-69.7	-26.7	0	0	0	111	R81 W101 E102	R81-D98 IonicContact CZ-OD1 3.2Å; R81-D98 IonicContact NH1-OD1 2.78Å; R81-D98 PolarHBondContact NH1-OD1 3.04Å; R81-D98 IonicContact NH2-OD1 2.76Å; R81-D98 PolarHBondContact NH2-OD1 3.42Å; D98-W101 PolarHBondContact O-N 2.89Å; D98-E102 WeakPolarHBondContact O-CB 3.49Å; D98-E102 VanDerWaalsContact O-CG 3.27Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 2.85Å
99	T	93.1	Very high	85.6	Confident	91 Å²	91	82.8 Å²	82.8	56%	0.558	42%	0.419	S	S	*	.	H	α-helix	trans	-62.3	-46.2	179.4	-49.4	0	0	0	0	112.2	T97 W101 E102 L103	T97-T99 PolarHBondContact O-N 3.44Å; T99-W101 VanDerWaalsContact C-N 3.34Å; T99-E102 PolarHBondContact O-N 3.4Å; T99-L103 HydrophobicContact CG2-CD1 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.4Å; T99-L103 VanDerWaalsContact O-CG 3.27Å; T99-L103 WeakPolarHBondContact O-CG 3.39Å; T99-L103 PolarHBondContact O-N 2.86Å
100	E	91.4	Very high	85.9	Confident	85 Å²	85	80.6 Å²	80.6	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-41.6	178.3	-73	160	154.7	0	0	111.3	V96 T97 L103 L104	V96-E100 HydrophobicContact CG2-CB 3.82Å; T97-E100 WeakPolarHBondContact CB-OE2 3.45Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.44Å; T97-E100 PolarHBondContact N-OE2 2.86Å; T97-E100 PolarHBondContact O-N 2.87Å; T97-E100 WeakPolarHBondContact OG1-CB 3.47Å; T97-E100 WeakPolarHBondContact OG1-CG 3.47Å; T97-E100 PolarHBondContact OG1-N 2.94Å; T97-E100 PolarHBondContact OG1-OE2 2.74Å; E100-L103 PolarHBondContact O-N 2.91Å; E100-L104 WeakPolarHBondContact O-CG 3.44Å; E100-L104 PolarHBondContact O-N 3.45Å
101	W	93.4	Very high	85.5	Confident	13 Å²	13	83.1 Å²	83.1	5%	0.049	43%	0.432	C	S	.	.	H	α-helix	trans	-66.2	-39.1	177.3	-172.6	-112.6	0	0	0	112.6	R81 F84 V96 T97 D98 T99 L104 Q105 G113	R81-W101 HydrophobicContact CB-CD2 4.14Å; R81-W101 HydrophobicContact CB-CH2 4.31Å; R81-W101 HydrophobicContact CB-CZ2 3.68Å; R81-W101 HydrophobicContact CG-CD2 3.8Å; R81-W101 HydrophobicContact CG-CE3 4.35Å; R81-W101 HydrophobicContact CG-CG 3.96Å; R81-W101 HydrophobicContact CG-CZ2 4.27Å; F84-W101 HydrophobicContact CB-CH2 4.06Å; F84-W101 HydrophobicContact CB-CZ3 3.64Å; F84-W101 AromaticContact CD1-CE3 3.94Å; F84-W101 HydrophobicContact CD1-CE3 3.94Å; F84-W101 AromaticContact CD1-CZ3 3.62Å; F84-W101 HydrophobicContact CD1-CZ3 3.62Å; F84-W101 HydrophobicContact CD2-CZ3 4.45Å; F84-W101 HydrophobicContact CE1-CZ3 4.42Å; F84-W101 HydrophobicContact CG-CE3 4.41Å; F84-W101 HydrophobicContact CG-CH2 4.46Å; F84-W101 AromaticContact CG-CZ3 3.63Å; F84-W101 HydrophobicContact CG-CZ3 3.63Å; V96-W101 HydrophobicContact CG2-CB 4.22Å; V96-W101 HydrophobicContact CG2-CE3 4.49Å; T97-W101 WeakPolarHBondContact O-CB 3.36Å; T97-W101 PolarHBondContact O-N 2.82Å; D98-W101 PolarHBondContact O-N 2.89Å; T99-W101 VanDerWaalsContact C-N 3.34Å; W101-L104 HydrophobicContact CE3-CD1 3.98Å; W101-L104 HydrophobicContact CZ3-CD1 4.3Å; W101-L104 PolarHBondContact O-N 3.24Å; W101-Q105 VanDerWaalsContact NE1-NE2 3.18Å; W101-Q105 WeakPolarHBondContact O-CG 3.19Å; W101-Q105 PolarHBondContact O-N 3.31Å; W101-Q105 PolarHBondContact O-NE2 2.86Å; W101-G113 WeakPolarHBondContact CZ2-O 3.44Å
102	E	92	Very high	85.4	Confident	126 Å²	126	90.5 Å²	90.5	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-63.1	-43	173.5	-76.7	174.7	-176.1	0	0	111.8	D98 T99 L104 Q105 E106	D98-E102 WeakPolarHBondContact O-CB 3.49Å; D98-E102 VanDerWaalsContact O-CG 3.27Å; D98-E102 WeakPolarHBondContact O-CG 3.28Å; D98-E102 PolarHBondContact O-N 2.85Å; T99-E102 PolarHBondContact O-N 3.4Å; E102-L104 PolarHBondContact O-N 2.89Å; E102-Q105 PolarHBondContact O-N 3.38Å; E102-E106 PolarHBondContact O-N 3Å
103	L	90.5	Very high	86	Confident	103 Å²	103	89.4 Å²	89.4	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-41.7	175.8	-73	171.5	0	0	0	112	T99 E100 Q105 E106 H107	T99-L103 HydrophobicContact CG2-CD1 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.4Å; T99-L103 VanDerWaalsContact O-CG 3.27Å; T99-L103 WeakPolarHBondContact O-CG 3.39Å; T99-L103 PolarHBondContact O-N 2.86Å; E100-L103 PolarHBondContact O-N 2.91Å; L103-Q105 VanDerWaalsContact C-N 3.35Å; L103-E106 PolarHBondContact O-N 3.35Å; L103-H107 VanDerWaalsContact O-CB 3.25Å; L103-H107 WeakPolarHBondContact O-CB 3.34Å; L103-H107 PolarHBondContact O-N 3.29Å
104	L	90.6	Very high	87	Confident	21 Å²	21	85.2 Å²	85.2	11%	0.11	43%	0.426	C	S	.	.	H	α-helix	trans	-61.7	-43.4	174	-74.4	171.3	0	0	0	111.6	F84 E100 W101 E102 H107 F108 I110 L123	F84-L104 HydrophobicContact CD1-CD1 4.34Å; F84-L104 HydrophobicContact CE1-CD1 3.64Å; F84-L104 HydrophobicContact CZ-CD1 3.81Å; E100-L104 WeakPolarHBondContact O-CG 3.44Å; E100-L104 PolarHBondContact O-N 3.45Å; W101-L104 HydrophobicContact CE3-CD1 3.98Å; W101-L104 HydrophobicContact CZ3-CD1 4.3Å; W101-L104 PolarHBondContact O-N 3.24Å; E102-L104 PolarHBondContact O-N 2.89Å; L104-H107 PolarHBondContact O-N 3.32Å; L104-F108 HydrophobicContact CD2-CD2 4.21Å; L104-F108 HydrophobicContact CD2-CE2 3.82Å; L104-F108 WeakPolarHBondContact O-CD2 3.1Å; L104-F108 PolarHBondContact O-N 3.18Å; L104-I110 HydrophobicContact CB-CD1 4.43Å; L104-L123 HydrophobicContact CD2-CD1 3.76Å; L104-L123 HydrophobicContact CD2-CD2 4.01Å; L104-L123 HydrophobicContact CD2-CG 4.48Å
105	Q	90.6	Very high	87.6	Confident	64 Å²	64	78.6 Å²	78.6	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-42.9	177.3	-75.3	178.5	84.6	0	0	112.5	W101 E102 L103 K109 I110	W101-Q105 VanDerWaalsContact NE1-NE2 3.18Å; W101-Q105 WeakPolarHBondContact O-CG 3.19Å; W101-Q105 PolarHBondContact O-N 3.31Å; W101-Q105 PolarHBondContact O-NE2 2.86Å; E102-Q105 PolarHBondContact O-N 3.38Å; L103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-K109 VanDerWaalsContact O-CA 3.23Å; Q105-K109 WeakPolarHBondContact O-CA 3.17Å; Q105-K109 PolarHBondContact O-N 3.06Å; Q105-I110 HydrophobicContact CB-CB 4.4Å; Q105-I110 HydrophobicContact CG-CB 4.14Å; Q105-I110 HydrophobicContact CG-CD1 4.09Å; Q105-I110 PolarHBondContact O-N 3.13Å; Q105-I110 VanDerWaalsContact O-N 3.13Å
106	E	90.2	Very high	87.9	Confident	153 Å²	153	75.2 Å²	75.2	72%	0.715	38%	0.381	S	S	*	.	H	α-helix	trans	-65	-46.5	176.5	-174.2	178.2	-178.5	0	0	111.1	E102 L103	E102-E106 PolarHBondContact O-N 3Å; L103-E106 PolarHBondContact O-N 3.35Å
107	H	88.6	Confident	87.9	Confident	106 Å²	106	77.1 Å²	77.1	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-52.1	-176.3	-172	86.8	0	0	0	112.3	L103 L104 M126	L103-H107 VanDerWaalsContact O-CB 3.25Å; L103-H107 WeakPolarHBondContact O-CB 3.34Å; L103-H107 PolarHBondContact O-N 3.29Å; L104-H107 PolarHBondContact O-N 3.32Å; H107-M126 WeakPolarHBondContact CE1-CE 3.37Å; H107-M126 PolarHBondContact NE2-SD 2.79Å
108	F	90.1	Very high	87.8	Confident	25 Å²	25	83.1 Å²	83.1	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-89	-1.1	-176.7	-65	-70.2	0	0	0	113.6	L104 I110 L115 D119 T122 L123 M126	L104-F108 HydrophobicContact CD2-CD2 4.21Å; L104-F108 HydrophobicContact CD2-CE2 3.82Å; L104-F108 WeakPolarHBondContact O-CD2 3.1Å; L104-F108 PolarHBondContact O-N 3.18Å; F108-I110 HydrophobicContact CB-CD1 4.38Å; F108-I110 HydrophobicContact CB-CG1 3.73Å; F108-I110 PolarHBondContact O-N 3.05Å; F108-L115 HydrophobicContact CB-CD1 4.5Å; F108-L115 HydrophobicContact CD2-CD1 3.99Å; F108-L115 HydrophobicContact CG-CD1 4.28Å; F108-D119 HydrophobicContact CB-CB 4.07Å; F108-D119 HydrophobicContact CD1-CB 3.64Å; F108-D119 HydrophobicContact CE1-CB 4.28Å; F108-D119 HydrophobicContact CG-CB 3.84Å; F108-T122 HydrophobicContact CE1-CG2 3.86Å; F108-L123 HydrophobicContact CE2-CB 4Å; F108-L123 HydrophobicContact CE2-CD1 4.24Å; F108-L123 HydrophobicContact CZ-CB 3.74Å; F108-L123 HydrophobicContact CZ-CD1 4.43Å; F108-M126 HydrophobicContact CZ-SD 4.32Å
109	K	84.4	Confident	87.7	Confident	182 Å²	182	79.9 Å²	79.9	79%	0.791	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	46.5	-174.2	-57.9	178.2	-179	175.7	0	111.2	Q105 S111	Q105-K109 VanDerWaalsContact O-CA 3.23Å; Q105-K109 WeakPolarHBondContact O-CA 3.17Å; Q105-K109 PolarHBondContact O-N 3.06Å; K109-S111 PolarHBondContact O-N 3.44Å
110	I	79.5	Confident	87.6	Confident	16 Å²	16	75.5 Å²	75.5	8%	0.082	36%	0.362	C	S	.	.			trans	-57.7	103.6	-171	-64.3	-177.5	0	0	0	109.9	L104 Q105 F108 K112 E114 L115	L104-I110 HydrophobicContact CB-CD1 4.43Å; Q105-I110 HydrophobicContact CB-CB 4.4Å; Q105-I110 HydrophobicContact CG-CB 4.14Å; Q105-I110 HydrophobicContact CG-CD1 4.09Å; Q105-I110 PolarHBondContact O-N 3.13Å; Q105-I110 VanDerWaalsContact O-N 3.13Å; F108-I110 HydrophobicContact CB-CD1 4.38Å; F108-I110 HydrophobicContact CB-CG1 3.73Å; F108-I110 PolarHBondContact O-N 3.05Å; I110-K112 PolarHBondContact O-N 3.03Å; I110-E114 VanDerWaalsContact CG2-C 3.41Å; I110-E114 WeakPolarHBondContact CG2-O 3.48Å; I110-L115 HydrophobicContact CD1-CB 4.29Å; I110-L115 HydrophobicContact CD1-CD1 3.72Å; I110-L115 HydrophobicContact CG1-CD1 4.32Å
111	S	60	Low	87.4	Confident	99 Å²	99	72 Å²	72	69%	0.692	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	119	177.8	64.1	0	0	0	0	109	K109	K109-S111 PolarHBondContact O-N 3.44Å
112	K	71.3	Confident	87.2	Confident	187 Å²	187	73.6 Å²	73.6	81%	0.813	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	1.9	-174.8	-51.1	175	-178.5	176.9	0	116.7	I110	I110-K112 PolarHBondContact O-N 3.03Å
113	G	84.6	Confident	87	Confident	20 Å²	20	68.5 Å²	68.5	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	73.1	28.3	-178.3	0	0	0	0	0	113.7	W101	W101-G113 WeakPolarHBondContact CZ2-O 3.44Å
114	E	92.1	Very high	86.7	Confident	60 Å²	60	63.9 Å²	63.9	28%	0.28	31%	0.309	S	S	.	.			trans	-129.9	129.1	176.6	-56	169.3	158.5	0	0	111.9	S78 L79 I110	S78-E114 PolarHBondContact OG-OE2 2.95Å; L79-E114 CarbonylContact O-C 3.49Å; L79-E114 VanDerWaalsContact O-CA 3.22Å; L79-E114 WeakPolarHBondContact O-CA 3.17Å; I110-E114 VanDerWaalsContact CG2-C 3.41Å; I110-E114 WeakPolarHBondContact CG2-O 3.48Å
115	L	93.4	Very high	86.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.1	-176.7	-173	72.8	0	0	0	110.9	F68 S78 L79 F84 F108 I110 D119 F120	F68-L115 WeakPolarHBondContact CE2-O 3.08Å; S78-L115 CarbonylContact C-O 3.37Å; S78-L115 WeakPolarHBondContact CA-O 3.26Å; L79-L115 HydrophobicContact CB-CB 4.47Å; L79-L115 PolarHBondContact N-O 2.99Å; L79-L115 PolarHBondContact O-N 2.85Å; F84-L115 HydrophobicContact CD2-CD2 3.71Å; F84-L115 HydrophobicContact CE2-CD2 3.75Å; F108-L115 HydrophobicContact CB-CD1 4.5Å; F108-L115 HydrophobicContact CD2-CD1 3.99Å; F108-L115 HydrophobicContact CG-CD1 4.28Å; I110-L115 HydrophobicContact CD1-CB 4.29Å; I110-L115 HydrophobicContact CD1-CD1 3.72Å; I110-L115 HydrophobicContact CG1-CD1 4.32Å; L115-D119 HydrophobicContact CD1-CB 3.55Å; L115-D119 HydrophobicContact CG-CB 4.34Å; L115-F120 HydrophobicContact CD2-CB 4.01Å; L115-F120 HydrophobicContact CD2-CD2 3.9Å; L115-F120 HydrophobicContact CD2-CG 4.48Å; L115-F120 HydrophobicContact CG-CB 4.31Å
116	N	92.9	Very high	85.8	Confident	59 Å²	59	67.1 Å²	67.1	32%	0.316	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	165.7	177.7	68	64	0	0	0	112.2	R118 D119 F120	N116-R118 VanDerWaalsContact C-N 3.26Å; N116-R118 PolarHBondContact O-N 3.11Å; N116-R118 WeakPolarHBondContact OD1-CA 3.26Å; N116-R118 VanDerWaalsContact OD1-CB 3.29Å; N116-R118 WeakPolarHBondContact OD1-CB 3.34Å; N116-R118 PolarHBondContact OD1-N 3.28Å; N116-D119 PolarHBondContact ND2-OD2 2.82Å; N116-D119 PolarHBondContact O-N 3Å; N116-D119 VanDerWaalsContact O-N 3.12Å; N116-D119 PolarHBondContact OD1-N 2.84Å; N116-D119 PolarHBondContact OD1-OD2 3.31Å; N116-F120 PolarHBondContact O-N 3.39Å
117	L	90.5	Very high	85.2	Confident	46 Å²	46	63.9 Å²	63.9	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-37.6	-178.2	175.5	62.3	0	0	0	113.5	M65 F68 L121	M65-L117 HydrophobicContact CB-CD1 4.43Å; M65-L117 HydrophobicContact CE-CD2 4.43Å; M65-L117 HydrophobicContact CG-CD1 4Å; M65-L117 HydrophobicContact CG-CD2 4.21Å; F68-L117 HydrophobicContact CB-CD1 3.7Å; F68-L117 HydrophobicContact CD1-CB 4.07Å; F68-L117 HydrophobicContact CD1-CD1 3.95Å; F68-L117 HydrophobicContact CD1-CG 4.49Å; F68-L117 HydrophobicContact CD2-CB 4.25Å; F68-L117 HydrophobicContact CD2-CD1 3.97Å; F68-L117 HydrophobicContact CE1-CB 3.89Å; F68-L117 VanDerWaalsContact CE2-CA 3.41Å; F68-L117 HydrophobicContact CE2-CB 4.04Å; F68-L117 VanDerWaalsContact CE2-N 3.29Å; F68-L117 HydrophobicContact CG-CB 4.24Å; F68-L117 HydrophobicContact CG-CD1 3.59Å; F68-L117 HydrophobicContact CG-CG 4.49Å; F68-L117 HydrophobicContact CZ-CB 3.86Å; L117-L121 HydrophobicContact CD1-CD1 4.02Å; L117-L121 HydrophobicContact CD1-CG 3.99Å; L117-L121 HydrophobicContact CG-CD1 4.04Å; L117-L121 HydrophobicContact CG-CG 4.42Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.73Å
118	R	91.3	Very high	84.3	Confident	194 Å²	194	60.5 Å²	60.5	73%	0.732	30%	0.3	S	S	*	.	H	α-helix	trans	-65	-44.2	-179.8	175.8	-172.7	173	176.8	-1.8	110.5	N116 L121 T122	N116-R118 VanDerWaalsContact C-N 3.26Å; N116-R118 PolarHBondContact O-N 3.11Å; N116-R118 WeakPolarHBondContact OD1-CA 3.26Å; N116-R118 VanDerWaalsContact OD1-CB 3.29Å; N116-R118 WeakPolarHBondContact OD1-CB 3.34Å; N116-R118 PolarHBondContact OD1-N 3.28Å; R118-L121 PolarHBondContact O-N 2.93Å; R118-T122 WeakPolarHBondContact O-CB 3.48Å; R118-T122 PolarHBondContact O-N 3.12Å; R118-T122 PolarHBondContact O-OG1 2.91Å
119	D	92	Very high	83.4	Confident	27 Å²	27	65.1 Å²	65.1	14%	0.144	32%	0.322	C	S	.	.	H	α-helix	trans	-71.8	-39.5	-179.1	-63.3	-22.6	0	0	0	110.5	F108 L115 N116 L121 T122 L123	F108-D119 HydrophobicContact CB-CB 4.07Å; F108-D119 HydrophobicContact CD1-CB 3.64Å; F108-D119 HydrophobicContact CE1-CB 4.28Å; F108-D119 HydrophobicContact CG-CB 3.84Å; L115-D119 HydrophobicContact CD1-CB 3.55Å; L115-D119 HydrophobicContact CG-CB 4.34Å; N116-D119 PolarHBondContact ND2-OD2 2.82Å; N116-D119 PolarHBondContact O-N 3Å; N116-D119 VanDerWaalsContact O-N 3.12Å; N116-D119 PolarHBondContact OD1-N 2.84Å; N116-D119 PolarHBondContact OD1-OD2 3.31Å; D119-L121 PolarHBondContact O-N 3.43Å; D119-T122 WeakPolarHBondContact O-CB 3.26Å; D119-T122 PolarHBondContact O-N 3.11Å; D119-L123 PolarHBondContact O-N 2.88Å
120	F	90.7	Very high	82.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-45	171	-177.1	-97.2	0	0	0	112.6	L64 I67 F68 L79 F84 Y87 L115 N116 T122 L123 H124	L64-F120 HydrophobicContact CB-CE1 4.04Å; L64-F120 HydrophobicContact CD2-CE1 3.94Å; L64-F120 HydrophobicContact CD2-CZ 4.42Å; I67-F120 HydrophobicContact CG2-CZ 4.13Å; F68-F120 HydrophobicContact CB-CD1 4.17Å; F68-F120 HydrophobicContact CB-CE1 4.26Å; F68-F120 HydrophobicContact CD2-CB 3.76Å; F68-F120 AromaticContact CD2-CD1 3.94Å; F68-F120 HydrophobicContact CD2-CD1 3.94Å; F68-F120 HydrophobicContact CD2-CD2 4.3Å; F68-F120 AromaticContact CD2-CG 3.75Å; F68-F120 HydrophobicContact CD2-CG 3.75Å; F68-F120 HydrophobicContact CE2-CB 4.04Å; F68-F120 HydrophobicContact CE2-CG 4.45Å; L79-F120 HydrophobicContact CD1-CD2 4.05Å; L79-F120 HydrophobicContact CD1-CE2 4.21Å; F84-F120 HydrophobicContact CE2-CD2 4.29Å; F84-F120 HydrophobicContact CE2-CE2 4.3Å; Y87-F120 HydrophobicContact CD1-CE2 4.08Å; Y87-F120 HydrophobicContact CD2-CE2 4.23Å; Y87-F120 HydrophobicContact CD2-CZ 4.07Å; Y87-F120 HydrophobicContact CE1-CE2 4.2Å; Y87-F120 HydrophobicContact CE2-CE2 4.36Å; Y87-F120 AromaticContact CE2-CZ 3.97Å; Y87-F120 HydrophobicContact CE2-CZ 3.97Å; Y87-F120 HydrophobicContact CG-CE2 4.12Å; Y87-F120 HydrophobicContact CG-CZ 4.42Å; L115-F120 HydrophobicContact CD2-CB 4.01Å; L115-F120 HydrophobicContact CD2-CD2 3.9Å; L115-F120 HydrophobicContact CD2-CG 4.48Å; L115-F120 HydrophobicContact CG-CB 4.31Å; N116-F120 PolarHBondContact O-N 3.39Å; F120-T122 VanDerWaalsContact C-N 3.28Å; F120-T122 PolarHBondContact O-N 3.44Å; F120-L123 PolarHBondContact O-N 3.29Å; F120-H124 AromaticContact CD2-CE1 3.88Å; F120-H124 AromaticContact CE1-CE1 3.66Å; F120-H124 AromaticContact CE1-ND1 3.9Å; F120-H124 AromaticContact CE2-CE1 3.4Å; F120-H124 WeakPolarHBondContact CE2-CE1 3.4Å; F120-H124 AromaticContact CZ-CE1 3.26Å; F120-H124 WeakPolarHBondContact CZ-CE1 3.33Å; F120-H124 AromaticContact CZ-ND1 3.96Å; F120-H124 AromaticContact CZ-NE2 3.97Å; F120-H124 PolarHBondContact O-N 3.49Å; F120-H124 PolarHBondContact O-ND1 3.18Å
121	L	87.3	Confident	82.1	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-30.6	175.6	-71	173.5	0	0	0	112.7	L64 M65 L117 R118 D119 Q125	L64-L121 HydrophobicContact CB-CD2 3.46Å; L64-L121 VanDerWaalsContact CB-CD2 3.46Å; L64-L121 HydrophobicContact CD1-CD2 3.8Å; L64-L121 HydrophobicContact CG-CD2 4.33Å; M65-L121 HydrophobicContact CG-CD1 4.22Å; M65-L121 HydrophobicContact CG-CD2 4.42Å; L117-L121 HydrophobicContact CD1-CD1 4.02Å; L117-L121 HydrophobicContact CD1-CG 3.99Å; L117-L121 HydrophobicContact CG-CD1 4.04Å; L117-L121 HydrophobicContact CG-CG 4.42Å; L117-L121 WeakPolarHBondContact O-CB 3.43Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.73Å; R118-L121 PolarHBondContact O-N 2.93Å; D119-L121 PolarHBondContact O-N 3.43Å; L121-Q125 WeakPolarHBondContact O-CB 3.32Å; L121-Q125 PolarHBondContact O-N 3.43Å; L121-Q125 VanDerWaalsContact O-N 3.15Å
122	T	88	Confident	82.1	Confident	47 Å²	47	66.7 Å²	66.7	29%	0.288	33%	0.334	S	S	.	.	H	α-helix	trans	-74	-41	178.6	-55.3	0	0	0	0	110.7	F108 R118 D119 F120 H124 Q125 M126	F108-T122 HydrophobicContact CE1-CG2 3.86Å; R118-T122 WeakPolarHBondContact O-CB 3.48Å; R118-T122 PolarHBondContact O-N 3.12Å; R118-T122 PolarHBondContact O-OG1 2.91Å; D119-T122 WeakPolarHBondContact O-CB 3.26Å; D119-T122 PolarHBondContact O-N 3.11Å; F120-T122 VanDerWaalsContact C-N 3.28Å; F120-T122 PolarHBondContact O-N 3.44Å; T122-H124 PolarHBondContact O-N 3.47Å; T122-Q125 WeakPolarHBondContact O-CB 3.49Å; T122-Q125 PolarHBondContact O-N 3.37Å; T122-Q125 VanDerWaalsContact O-N 3.14Å; T122-M126 HydrophobicContact CG2-SD 4.42Å; T122-M126 WeakPolarHBondContact O-CG 3.21Å; T122-M126 PolarHBondContact O-N 3.23Å
123	L	89.1	Confident	81.4	Confident	20 Å²	20	61 Å²	61	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-51.2	-54.5	172.5	174	62.7	0	0	0	111.6	F84 L104 F108 D119 F120 Q125 M126 E127	F84-L123 HydrophobicContact CE2-CD2 4Å; F84-L123 HydrophobicContact CZ-CD2 3.97Å; L104-L123 HydrophobicContact CD2-CD1 3.76Å; L104-L123 HydrophobicContact CD2-CD2 4.01Å; L104-L123 HydrophobicContact CD2-CG 4.48Å; F108-L123 HydrophobicContact CE2-CB 4Å; F108-L123 HydrophobicContact CE2-CD1 4.24Å; F108-L123 HydrophobicContact CZ-CB 3.74Å; F108-L123 HydrophobicContact CZ-CD1 4.43Å; D119-L123 PolarHBondContact O-N 2.88Å; F120-L123 PolarHBondContact O-N 3.29Å; L123-Q125 VanDerWaalsContact C-N 3.27Å; L123-Q125 PolarHBondContact O-N 2.8Å; L123-M126 WeakPolarHBondContact O-CB 3.27Å; L123-M126 PolarHBondContact O-N 3.34Å; L123-M126 VanDerWaalsContact O-N 3.1Å; L123-E127 PolarHBondContact O-N 2.98Å
124	H	83.5	Confident	80.5	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.023	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-26.8	-179.6	-68.8	81.4	0	0	0	113.5	F60 L64 Y87 F120 T122 E127 A128	F60-H124 HydrophobicContact CE1-CB 4.11Å; F60-H124 HydrophobicContact CZ-CB 4.25Å; L64-H124 HydrophobicContact CD1-CB 3.45Å; L64-H124 VanDerWaalsContact CD1-CB 3.45Å; L64-H124 HydrophobicContact CD2-CB 4.3Å; Y87-H124 AromaticContact CE1-NE2 3.81Å; Y87-H124 AromaticContact CZ-CE1 3.81Å; Y87-H124 AromaticContact CZ-NE2 3.27Å; Y87-H124 VanDerWaalsContact CZ-NE2 3.27Å; Y87-H124 PolarHBondContact OH-NE2 3.47Å; F120-H124 AromaticContact CD2-CE1 3.88Å; F120-H124 AromaticContact CE1-CE1 3.66Å; F120-H124 AromaticContact CE1-ND1 3.9Å; F120-H124 AromaticContact CE2-CE1 3.4Å; F120-H124 WeakPolarHBondContact CE2-CE1 3.4Å; F120-H124 AromaticContact CZ-CE1 3.26Å; F120-H124 WeakPolarHBondContact CZ-CE1 3.33Å; F120-H124 AromaticContact CZ-ND1 3.96Å; F120-H124 AromaticContact CZ-NE2 3.97Å; F120-H124 PolarHBondContact O-N 3.49Å; F120-H124 PolarHBondContact O-ND1 3.18Å; T122-H124 PolarHBondContact O-N 3.47Å; H124-E127 IonicContact CD2-OE2 3.5Å; H124-E127 PolarHBondContact CD2-OE2 2.84Å; H124-E127 IonicContact CG-OE2 4Å; H124-A128 VanDerWaalsContact O-CB 3.3Å; H124-A128 WeakPolarHBondContact O-CB 3.48Å; H124-A128 PolarHBondContact O-N 2.94Å
125	Q	79.9	Confident	79.2	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-41.6	172.3	180	176.8	-14.1	0	0	110.5	L121 T122 L123 A128 E129	L121-Q125 WeakPolarHBondContact O-CB 3.32Å; L121-Q125 PolarHBondContact O-N 3.43Å; L121-Q125 VanDerWaalsContact O-N 3.15Å; T122-Q125 WeakPolarHBondContact O-CB 3.49Å; T122-Q125 PolarHBondContact O-N 3.37Å; T122-Q125 VanDerWaalsContact O-N 3.14Å; L123-Q125 VanDerWaalsContact C-N 3.27Å; L123-Q125 PolarHBondContact O-N 2.8Å; Q125-A128 PolarHBondContact O-N 3.06Å; Q125-E129 HydrophobicContact CG-CG 4.5Å; Q125-E129 WeakPolarHBondContact CG-OE1 2.96Å; Q125-E129 PolarHBondContact NE2-OE1 3.23Å; Q125-E129 WeakPolarHBondContact O-CB 3.33Å; Q125-E129 VanDerWaalsContact O-CG 3.27Å; Q125-E129 WeakPolarHBondContact O-CG 3.44Å; Q125-E129 PolarHBondContact O-N 3.45Å
126	M	81.7	Confident	77.9	Confident	63 Å²	63	70 Å²	70	31%	0.31	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-44.5	176	-66.8	171.1	59.7	0	0	111.5	H107 F108 T122 L123 A128 E129 D130	H107-M126 WeakPolarHBondContact CE1-CE 3.37Å; H107-M126 PolarHBondContact NE2-SD 2.79Å; F108-M126 HydrophobicContact CZ-SD 4.32Å; T122-M126 HydrophobicContact CG2-SD 4.42Å; T122-M126 WeakPolarHBondContact O-CG 3.21Å; T122-M126 PolarHBondContact O-N 3.23Å; L123-M126 WeakPolarHBondContact O-CB 3.27Å; L123-M126 PolarHBondContact O-N 3.34Å; L123-M126 VanDerWaalsContact O-N 3.1Å; M126-A128 VanDerWaalsContact C-N 3.33Å; M126-A128 PolarHBondContact O-N 3.27Å; M126-E129 PolarHBondContact O-N 2.66Å; M126-D130 WeakPolarHBondContact O-CB 3.47Å; M126-D130 PolarHBondContact O-N 2.67Å
127	E	77.4	Confident	76.5	Confident	85 Å²	85	72 Å²	72	40%	0.397	38%	0.381	S	S	.	.	H	α-helix	trans	-56.8	-47.5	174	-69.6	169.3	-179.8	0	0	111.1	L123 H124 E129 D130 C131	L123-E127 PolarHBondContact O-N 2.98Å; H124-E127 IonicContact CD2-OE2 3.5Å; H124-E127 PolarHBondContact CD2-OE2 2.84Å; H124-E127 IonicContact CG-OE2 4Å; E127-E129 VanDerWaalsContact C-N 3.31Å; E127-E129 PolarHBondContact O-N 3.19Å; E127-D130 PolarHBondContact O-N 3.01Å; E127-C131 PolarHBondContact O-N 2.79Å; E127-C131 PolarHBondContact O-SG 3.19Å
128	A	70.9	Confident	75.4	Confident	35 Å²	35	70.6 Å²	70.6	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-34.8	178.2	0	0	0	0	0	113.5	H124 Q125 M126 M138	H124-A128 VanDerWaalsContact O-CB 3.3Å; H124-A128 WeakPolarHBondContact O-CB 3.48Å; H124-A128 PolarHBondContact O-N 2.94Å; Q125-A128 PolarHBondContact O-N 3.06Å; M126-A128 VanDerWaalsContact C-N 3.33Å; M126-A128 PolarHBondContact O-N 3.27Å; A128-M138 HydrophobicContact CB-CE 3.55Å; A128-M138 HydrophobicContact CB-SD 3.66Å
129	E	71.5	Confident	74.3	Confident	122 Å²	122	63.5 Å²	63.5	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-71.1	-36.7	175.8	-74.4	172.5	-170.1	0	0	111.5	Q125 M126 E127	Q125-E129 HydrophobicContact CG-CG 4.5Å; Q125-E129 WeakPolarHBondContact CG-OE1 2.96Å; Q125-E129 PolarHBondContact NE2-OE1 3.23Å; Q125-E129 WeakPolarHBondContact O-CB 3.33Å; Q125-E129 VanDerWaalsContact O-CG 3.27Å; Q125-E129 WeakPolarHBondContact O-CG 3.44Å; Q125-E129 PolarHBondContact O-N 3.45Å; M126-E129 PolarHBondContact O-N 2.66Å; E127-E129 VanDerWaalsContact C-N 3.31Å; E127-E129 PolarHBondContact O-N 3.19Å
130	D	72.1	Confident	73.1	Confident	130 Å²	130	66.5 Å²	66.5	70%	0.695	36%	0.363	S	S	*	.	H	α-helix	trans	-74.4	-26.8	178.7	-77.1	-18	0	0	0	113.1	M126 E127 N132	M126-D130 WeakPolarHBondContact O-CB 3.47Å; M126-D130 PolarHBondContact O-N 2.67Å; E127-D130 PolarHBondContact O-N 3.01Å; D130-N132 PolarHBondContact O-N 3.36Å
131	C	63.5	Low	71.9	Confident	36 Å²	36	68 Å²	68	24%	0.243	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	5.1	-178.6	-67.5	0	0	0	0	115.3	E127 G133 D134	E127-C131 PolarHBondContact O-N 2.79Å; E127-C131 PolarHBondContact O-SG 3.19Å; C131-G133 PolarHBondContact O-N 3.45Å; C131-D134 WeakPolarHBondContact CB-O 3.16Å; C131-D134 WeakPolarHBondContact O-CB 3.42Å; C131-D134 PolarHBondContact O-N 3.41Å
132	N	61.4	Low	70.9	Confident	164 Å²	164	67.7 Å²	67.7	88%	0.877	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	25.9	176.9	-84	-26.8	0	0	0	115.1	D130	D130-N132 PolarHBondContact O-N 3.36Å
133	G	56.6	Low	69.9	Low	66 Å²	66	69.5 Å²	69.5	68%	0.68	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	0.5	-177.2	0	0	0	0	0	115.3	C131 T135	C131-G133 PolarHBondContact O-N 3.45Å; G133-T135 PolarHBondContact O-N 2.8Å
134	D	63.8	Low	68.5	Low	88 Å²	88	69.7 Å²	69.7	47%	0.471	38%	0.38	S	S	.	.			trans	-75	115.7	163.6	-164.8	-14.6	0	0	0	109	C131 E136	C131-D134 WeakPolarHBondContact CB-O 3.16Å; C131-D134 WeakPolarHBondContact O-CB 3.42Å; C131-D134 PolarHBondContact O-N 3.41Å; D134-E136 WeakPolarHBondContact OD1-CB 3.41Å; D134-E136 PolarHBondContact OD1-N 3.32Å
135	T	64.6	Low	67.4	Low	51 Å²	51	69.8 Å²	69.8	31%	0.313	38%	0.38	S	S	.	.			trans	-108.5	4	-178.4	55.8	0	0	0	0	111.6	F56 G133 D137 M138 W139	F56-T135 HydrophobicContact CE1-CG2 4.35Å; F56-T135 HydrophobicContact CZ-CG2 4.45Å; G133-T135 PolarHBondContact O-N 2.8Å; T135-D137 PolarHBondContact O-N 2.9Å; T135-M138 HydrophobicContact CG2-SD 4.2Å; T135-M138 WeakPolarHBondContact O-CB 3.47Å; T135-M138 PolarHBondContact O-N 3.43Å; T135-W139 PolarHBondContact O-N 3.11Å
136	E	66.7	Low	66.3	Low	132 Å²	132	65.8 Å²	65.8	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-60.8	-45.3	-175.6	-167.6	167.5	-178.1	0	0	111	D134 M138 W139 L140	D134-E136 WeakPolarHBondContact OD1-CB 3.41Å; D134-E136 PolarHBondContact OD1-N 3.32Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.22Å; E136-W139 PolarHBondContact O-N 3.15Å; E136-W139 VanDerWaalsContact O-N 3.09Å; E136-L140 WeakPolarHBondContact O-CG 3.32Å; E136-L140 PolarHBondContact O-N 2.8Å
137	D	64.8	Low	65.4	Low	100 Å²	100	63 Å²	63	54%	0.535	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-36.6	176.9	-67.6	-22.6	0	0	0	112.8	T135 L140 S141	T135-D137 PolarHBondContact O-N 2.9Å; D137-L140 PolarHBondContact O-N 3.2Å; D137-S141 PolarHBondContact O-N 3.4Å; D137-S141 VanDerWaalsContact O-N 3.12Å; D137-S141 PolarHBondContact O-OG 2.6Å; D137-S141 VanDerWaalsContact O-OG 3.11Å
138	M	66.7	Low	64.8	Low	17 Å²	17	60.8 Å²	60.8	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-42.6	174.8	-59	177.9	71.4	0	0	110.8	F60 A128 T135 E136 S141 L142	F60-M138 HydrophobicContact CD1-CE 3.94Å; F60-M138 HydrophobicContact CD2-CE 4.07Å; F60-M138 HydrophobicContact CE1-CE 3.27Å; F60-M138 HydrophobicContact CE2-CE 3.46Å; F60-M138 VanDerWaalsContact CE2-CE 3.46Å; F60-M138 HydrophobicContact CG-CE 4.3Å; F60-M138 HydrophobicContact CZ-CE 3.03Å; A128-M138 HydrophobicContact CB-CE 3.55Å; A128-M138 HydrophobicContact CB-SD 3.66Å; T135-M138 HydrophobicContact CG2-SD 4.2Å; T135-M138 WeakPolarHBondContact O-CB 3.47Å; T135-M138 PolarHBondContact O-N 3.43Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.22Å; M138-S141 PolarHBondContact O-N 3.14Å; M138-L142 VanDerWaalsContact O-CG 3.32Å; M138-L142 WeakPolarHBondContact O-CG 3.5Å; M138-L142 PolarHBondContact O-N 2.91Å
139	W	68	Low	64.4	Low	45 Å²	45	65 Å²	65	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-38.3	176.7	-76.7	113.1	0	0	0	112.1	F56 T135 E136 S141 L142 E143 H149 L151	F56-W139 HydrophobicContact CD2-CZ2 4.21Å; F56-W139 AromaticContact CE2-CE2 3.87Å; F56-W139 HydrophobicContact CE2-CH2 4.23Å; F56-W139 AromaticContact CE2-CZ2 3.5Å; F56-W139 HydrophobicContact CE2-CZ2 3.5Å; F56-W139 HydrophobicContact CZ-CZ2 4.47Å; T135-W139 PolarHBondContact O-N 3.11Å; E136-W139 PolarHBondContact O-N 3.15Å; E136-W139 VanDerWaalsContact O-N 3.09Å; W139-S141 VanDerWaalsContact C-N 3.3Å; W139-S141 PolarHBondContact O-N 2.83Å; W139-L142 HydrophobicContact CE3-CB 4.48Å; W139-L142 HydrophobicContact CE3-CD1 3.91Å; W139-L142 HydrophobicContact CZ3-CD1 4.12Å; W139-L142 PolarHBondContact O-N 2.74Å; W139-E143 WeakPolarHBondContact O-CB 3.45Å; W139-E143 WeakPolarHBondContact O-CG 2.98Å; W139-E143 PolarHBondContact O-N 2.92Å; W139-H149 AromaticContact CD2-ND1 3.92Å; W139-H149 AromaticContact CE3-ND1 3.67Å; W139-H149 AromaticContact CZ3-ND1 3.83Å; W139-L151 HydrophobicContact CH2-CD1 4.49Å; W139-L151 HydrophobicContact CH2-CD2 3.39Å; W139-L151 HydrophobicContact CH2-CG 3.96Å; W139-L151 HydrophobicContact CZ2-CD2 4.45Å; W139-L151 HydrophobicContact CZ3-CD2 3.47Å; W139-L151 VanDerWaalsContact CZ3-CD2 3.47Å; W139-L151 HydrophobicContact CZ3-CG 4.32Å
140	L	66.2	Low	64	Low	90 Å²	90	67.1 Å²	67.1	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-43.2	174.2	-71.5	172.8	0	0	0	111.5	E136 D137 E143 S144	E136-L140 WeakPolarHBondContact O-CG 3.32Å; E136-L140 PolarHBondContact O-N 2.8Å; D137-L140 PolarHBondContact O-N 3.2Å; L140-E143 PolarHBondContact O-N 3.49Å; L140-S144 WeakPolarHBondContact O-CB 3.35Å; L140-S144 PolarHBondContact O-N 3.34Å; L140-S144 PolarHBondContact O-OG 3.47Å
141	S	66.2	Low	63.3	Low	30 Å²	30	62.4 Å²	62.4	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-38.2	175.4	-61.7	0	0	0	0	112.7	D137 M138 W139 S144 I145	D137-S141 PolarHBondContact O-N 3.4Å; D137-S141 VanDerWaalsContact O-N 3.12Å; D137-S141 PolarHBondContact O-OG 2.6Å; D137-S141 VanDerWaalsContact O-OG 3.11Å; M138-S141 PolarHBondContact O-N 3.14Å; W139-S141 VanDerWaalsContact C-N 3.3Å; W139-S141 PolarHBondContact O-N 2.83Å; S141-S144 PolarHBondContact O-OG 3.24Å; S141-I145 PolarHBondContact O-N 3.14Å
142	L	66.7	Low	63.2	Low	4 Å²	4	66.2 Å²	66.2	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-69.9	-44.9	176.7	-71.7	-178.4	0	0	0	112.1	F60 I63 I67 M138 W139 S144 I145 G146 C147 L151	F60-L142 HydrophobicContact CD2-CD1 3.97Å; F60-L142 HydrophobicContact CE2-CD1 4.05Å; F60-L142 HydrophobicContact CE2-CD2 4.21Å; F60-L142 HydrophobicContact CE2-CG 4.28Å; I63-L142 HydrophobicContact CB-CD2 4.35Å; I63-L142 HydrophobicContact CG2-CD2 3.5Å; I63-L142 VanDerWaalsContact CG2-CD2 3.5Å; I67-L142 HydrophobicContact CD1-CD2 3.92Å; M138-L142 VanDerWaalsContact O-CG 3.32Å; M138-L142 WeakPolarHBondContact O-CG 3.5Å; M138-L142 PolarHBondContact O-N 2.91Å; W139-L142 HydrophobicContact CE3-CB 4.48Å; W139-L142 HydrophobicContact CE3-CD1 3.91Å; W139-L142 HydrophobicContact CZ3-CD1 4.12Å; W139-L142 PolarHBondContact O-N 2.74Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.1Å; L142-I145 PolarHBondContact O-N 3.48Å; L142-G146 PolarHBondContact O-N 2.86Å; L142-C147 HydrophobicContact CB-CB 4.07Å; L142-C147 WeakPolarHBondContact O-CA 3.43Å; L142-C147 WeakPolarHBondContact O-CB 3.31Å; L142-C147 PolarHBondContact O-N 3.31Å; L142-L151 HydrophobicContact CD1-CD2 4.19Å
143	E	65.9	Low	63	Low	86 Å²	86	59.5 Å²	59.5	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-37.2	177.9	-74.8	-169.9	157.1	0	0	111.8	W139 L140 I145 G146 C147 H149	W139-E143 WeakPolarHBondContact O-CB 3.45Å; W139-E143 WeakPolarHBondContact O-CG 2.98Å; W139-E143 PolarHBondContact O-N 2.92Å; L140-E143 PolarHBondContact O-N 3.49Å; E143-I145 PolarHBondContact O-N 2.92Å; E143-G146 WeakPolarHBondContact O-CA 3.49Å; E143-G146 PolarHBondContact O-N 3.46Å; E143-C147 WeakPolarHBondContact CA-O 3.44Å; E143-H149 IonicContact OE1-CD2 3.85Å; E143-H149 IonicContact OE1-CE1 3.06Å; E143-H149 PolarHBondContact OE1-CE1 3.13Å; E143-H149 IonicContact OE1-NE2 3.66Å; E143-H149 PolarHBondContact OE1-NE2 3.25Å
144	S	61.3	Low	63	Low	24 Å²	24	59.6 Å²	59.6	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-29.9	178.4	76.6	0	0	0	0	112.5	R90 L140 S141 L142 G146	R90-S144 WeakPolarHBondContact O-CB 3.45Å; R90-S144 PolarHBondContact O-OG 2.72Å; L140-S144 WeakPolarHBondContact O-CB 3.35Å; L140-S144 PolarHBondContact O-N 3.34Å; L140-S144 PolarHBondContact O-OG 3.47Å; S141-S144 PolarHBondContact O-OG 3.24Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-S144 PolarHBondContact O-N 3.1Å; S144-G146 VanDerWaalsContact C-N 3.26Å; S144-G146 PolarHBondContact O-N 2.94Å
145	I	60.6	Low	62.6	Low	7 Å²	7	59.1 Å²	59.1	4%	0.036	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.6	173.3	-60.2	164.3	0	0	0	112	I67 Y87 R90 T91 S141 L142 E143 I172	I67-I145 HydrophobicContact CD1-CB 4.48Å; I67-I145 HydrophobicContact CD1-CD1 3.65Å; I67-I145 HydrophobicContact CD1-CG2 4.33Å; I67-I145 HydrophobicContact CG1-CD1 4.05Å; I67-I145 HydrophobicContact CG1-CG2 3.87Å; I67-I145 HydrophobicContact CG2-CD1 3.74Å; Y87-I145 HydrophobicContact CD2-CD1 3.91Å; Y87-I145 HydrophobicContact CE2-CD1 3.66Å; R90-I145 HydrophobicContact CB-CG1 4.14Å; T91-I145 HydrophobicContact CG2-CD1 3.5Å; T91-I145 VanDerWaalsContact CG2-CD1 3.5Å; T91-I145 HydrophobicContact CG2-CG1 4.08Å; S141-I145 PolarHBondContact O-N 3.14Å; L142-I145 PolarHBondContact O-N 3.48Å; E143-I145 PolarHBondContact O-N 2.92Å; I145-I172 HydrophobicContact CG2-CG2 3.97Å; I145-I172 WeakPolarHBondContact O-CA 3.28Å; I145-I172 WeakPolarHBondContact O-CG1 3.26Å
146	G	56.8	Low	61.8	Low	7 Å²	7	58.5 Å²	58.5	7%	0.072	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	19.8	175.8	0	0	0	0	0	114.4	L142 E143 S144 L153 D154 K171	L142-G146 PolarHBondContact O-N 2.86Å; E143-G146 WeakPolarHBondContact O-CA 3.49Å; E143-G146 PolarHBondContact O-N 3.46Å; S144-G146 VanDerWaalsContact C-N 3.26Å; S144-G146 PolarHBondContact O-N 2.94Å; G146-L153 CarbonylContact O-C 3.58Å; G146-L153 WeakPolarHBondContact O-CA 3.47Å; G146-D154 PolarHBondContact O-N 3.33Å; G146-K171 WeakPolarHBondContact CA-O 3.31Å
147	C	62.4	Low	61.1	Low	3 Å²	3	57.6 Å²	57.6	2%	0.02	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-86.1	125.9	171.4	-163.8	0	0	0	0	110.2	I63 L142 E143 Q152 L153	I63-C147 WeakPolarHBondContact CD1-SG 3.15Å; I63-C147 HydrophobicContact CG2-CB 4.42Å; L142-C147 HydrophobicContact CB-CB 4.07Å; L142-C147 WeakPolarHBondContact O-CA 3.43Å; L142-C147 WeakPolarHBondContact O-CB 3.31Å; L142-C147 PolarHBondContact O-N 3.31Å; E143-C147 WeakPolarHBondContact CA-O 3.44Å; C147-Q152 WeakPolarHBondContact CA-O 3.37Å; C147-L153 HydrophobicContact CB-CD2 4.43Å
148	N	64.2	Low	60.3	Low	40 Å²	40	54.5 Å²	54.5	21%	0.214	27%	0.268	C	S	.	.			trans	-84.9	170.1	175.9	61.3	46	0	0	0	111.9	K150 L151 Q152 D154	N148-K150 PolarHBondContact O-N 2.83Å; N148-K150 WeakPolarHBondContact OD1-CA 2.98Å; N148-K150 VanDerWaalsContact OD1-CB 3.26Å; N148-K150 WeakPolarHBondContact OD1-CB 3.49Å; N148-K150 PolarHBondContact OD1-N 2.73Å; N148-L151 WeakPolarHBondContact O-CA 3.47Å; N148-L151 PolarHBondContact O-N 3.2Å; N148-L151 PolarHBondContact OD1-N 3.06Å; N148-Q152 PolarHBondContact N-O 3.03Å; N148-Q152 PolarHBondContact ND2-O 2.63Å; N148-Q152 PolarHBondContact OD1-N 3.2Å; N148-Q152 PolarHBondContact OD1-O 2.92Å; N148-D154 PolarHBondContact ND2-OD1 3.39Å
149	H	62.4	Low	59.6	Low	123 Å²	123	56.2 Å²	56.2	57%	0.569	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.7	176.8	-68	-68.3	0	0	0	115.5	W139 E143	W139-H149 AromaticContact CD2-ND1 3.92Å; W139-H149 AromaticContact CE3-ND1 3.67Å; W139-H149 AromaticContact CZ3-ND1 3.83Å; E143-H149 IonicContact OE1-CD2 3.85Å; E143-H149 IonicContact OE1-CE1 3.06Å; E143-H149 PolarHBondContact OE1-CE1 3.13Å; E143-H149 IonicContact OE1-NE2 3.66Å; E143-H149 PolarHBondContact OE1-NE2 3.25Å
150	K	63.8	Low	58.6	Low	166 Å²	166	55 Å²	55	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	7.3	167.6	-57.7	-178.2	178.9	176.5	0	112.4	N148 Q152	N148-K150 PolarHBondContact O-N 2.83Å; N148-K150 WeakPolarHBondContact OD1-CA 2.98Å; N148-K150 VanDerWaalsContact OD1-CB 3.26Å; N148-K150 WeakPolarHBondContact OD1-CB 3.49Å; N148-K150 PolarHBondContact OD1-N 2.73Å; K150-Q152 HydrophobicContact CB-CG 4.43Å; K150-Q152 PolarHBondContact O-N 3.18Å
151	L	57.9	Low	57.6	Low	32 Å²	32	56.6 Å²	56.6	17%	0.168	29%	0.285	C	S	.	.	S	Bend	trans	61.2	36.5	179.6	-61.3	170.4	0	0	0	112	T59 I63 W139 L142 N148	T59-L151 HydrophobicContact CG2-CB 3.49Å; T59-L151 VanDerWaalsContact CG2-CB 3.49Å; T59-L151 HydrophobicContact CG2-CD1 3.32Å; T59-L151 HydrophobicContact CG2-CG 3.98Å; I63-L151 HydrophobicContact CD1-CB 3.45Å; I63-L151 VanDerWaalsContact CD1-CB 3.45Å; I63-L151 HydrophobicContact CD1-CD2 3.19Å; I63-L151 HydrophobicContact CD1-CG 3.84Å; I63-L151 HydrophobicContact CG1-CB 4.45Å; W139-L151 HydrophobicContact CH2-CD1 4.49Å; W139-L151 HydrophobicContact CH2-CD2 3.39Å; W139-L151 HydrophobicContact CH2-CG 3.96Å; W139-L151 HydrophobicContact CZ2-CD2 4.45Å; W139-L151 HydrophobicContact CZ3-CD2 3.47Å; W139-L151 VanDerWaalsContact CZ3-CD2 3.47Å; W139-L151 HydrophobicContact CZ3-CG 4.32Å; L142-L151 HydrophobicContact CD1-CD2 4.19Å; N148-L151 WeakPolarHBondContact O-CA 3.47Å; N148-L151 PolarHBondContact O-N 3.2Å; N148-L151 PolarHBondContact OD1-N 3.06Å
152	Q	59.8	Low	56.5	Low	115 Å²	115	61.3 Å²	61.3	54%	0.537	30%	0.298	S	S	.	.			trans	-118.3	136.3	177.1	-65.5	175.6	-13.5	0	0	108.6	C147 N148 K150 D154	C147-Q152 WeakPolarHBondContact CA-O 3.37Å; N148-Q152 PolarHBondContact N-O 3.03Å; N148-Q152 PolarHBondContact ND2-O 2.63Å; N148-Q152 PolarHBondContact OD1-N 3.2Å; N148-Q152 PolarHBondContact OD1-O 2.92Å; K150-Q152 HydrophobicContact CB-CG 4.43Å; K150-Q152 PolarHBondContact O-N 3.18Å; Q152-D154 PolarHBondContact O-N 2.67Å
153	L	58.6	Low	55.5	Low	23 Å²	23	62.6 Å²	62.6	12%	0.12	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-65.5	133.1	166.3	-66.9	170.3	0	0	0	108.7	L70 G146 C147 E155 Y170	L70-L153 HydrophobicContact CD1-CD1 4.01Å; G146-L153 CarbonylContact O-C 3.58Å; G146-L153 WeakPolarHBondContact O-CA 3.47Å; C147-L153 HydrophobicContact CB-CD2 4.43Å; L153-E155 PolarHBondContact O-N 2.94Å; L153-Y170 HydrophobicContact CB-CD1 3.28Å; L153-Y170 HydrophobicContact CB-CE1 3.77Å; L153-Y170 HydrophobicContact CB-CG 4.21Å; L153-Y170 HydrophobicContact CD1-CD1 4.02Å; L153-Y170 HydrophobicContact CD1-CE1 4.42Å; L153-Y170 HydrophobicContact CD1-CG 4.34Å; L153-Y170 HydrophobicContact CG-CD1 4.31Å
154	D	55.7	Low	54.6	Low	69 Å²	69	58.8 Å²	58.8	37%	0.369	29%	0.288	S	S	.	.			trans	-64.7	105.9	178.9	-84.3	-9.2	0	0	0	110.1	G146 N148 Q152 Y170 K171	G146-D154 PolarHBondContact O-N 3.33Å; N148-D154 PolarHBondContact ND2-OD1 3.39Å; Q152-D154 PolarHBondContact O-N 2.67Å; D154-Y170 WeakPolarHBondContact O-CA 3.29Å; D154-K171 HydrophobicContact CB-CB 4.4Å; D154-K171 PolarHBondContact O-N 2.81Å
155	E	54.7	Low	53.8	Low	77 Å²	77	58 Å²	58	36%	0.36	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.1	177.7	-169.4	-172.7	-178	0	0	110.2	L153 K157 S168 I169 Y170	L153-E155 PolarHBondContact O-N 2.94Å; E155-K157 HydrophobicContact CG-CG 4.17Å; E155-K157 WeakPolarHBondContact OE1-CE 3.42Å; E155-K157 WeakPolarHBondContact OE2-CE 3.1Å; E155-K157 IonicContact OE2-NZ 2.67Å; E155-S168 WeakPolarHBondContact OE1-CB 3.24Å; E155-S168 PolarHBondContact OE1-OG 2.84Å; E155-I169 CarbonylContact C-O 3.53Å; E155-I169 WeakPolarHBondContact CA-O 3.39Å; E155-Y170 HydrophobicContact CB-CD1 4.31Å; E155-Y170 HydrophobicContact CB-CE1 4.07Å; E155-Y170 HydrophobicContact CG-CE1 4.36Å
156	V	48.5	Very low	53.3	Low	39 Å²	39	59 Å²	59	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.4	164.3	-177.2	0	0	0	0	107.8	L158 I169 K171	V156-L158 HydrophobicContact CG1-CD2 3.88Å; V156-L158 HydrophobicContact CG1-CG 4.2Å; V156-I169 HydrophobicContact CB-CB 4.36Å; V156-I169 PolarHBondContact N-O 2.95Å; V156-I169 PolarHBondContact O-N 3.33Å; V156-K171 HydrophobicContact CG2-CB 4.39Å
157	K	52.4	Low	52.9	Low	113 Å²	113	58.7 Å²	58.7	49%	0.491	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.2	168.1	-67.1	-174.6	179.9	179.4	0	109.2	E155 L167	E155-K157 HydrophobicContact CG-CG 4.17Å; E155-K157 WeakPolarHBondContact OE1-CE 3.42Å; E155-K157 WeakPolarHBondContact OE2-CE 3.1Å; E155-K157 IonicContact OE2-NZ 2.67Å; K157-L167 WeakPolarHBondContact CA-O 3.38Å
158	L	47.7	Very low	52.2	Low	34 Å²	34	59.6 Å²	59.6	18%	0.178	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	101.2	169.2	-59.6	177.5	0	0	0	108.2	V7 V156 L167 I169 L235	V7-L158 HydrophobicContact CG1-CD1 3.89Å; V156-L158 HydrophobicContact CG1-CD2 3.88Å; V156-L158 HydrophobicContact CG1-CG 4.2Å; L158-L167 HydrophobicContact CB-CB 4.23Å; L158-L167 HydrophobicContact CD1-CD1 4.29Å; L158-L167 PolarHBondContact N-O 2.78Å; L158-L167 PolarHBondContact O-N 2.76Å; L158-I169 HydrophobicContact CD1-CD1 3.39Å; L158-I169 HydrophobicContact CG-CD1 4.03Å; L158-L235 HydrophobicContact CD1-CD1 4.39Å
159	D	51.4	Low	51.4	Low	54 Å²	54	58.1 Å²	58.1	29%	0.289	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	104	169.3	-72.3	-28.1	0	0	0	108.8	N161 S166	D159-N161 PolarHBondContact O-N 3.13Å; D159-S166 VanDerWaalsContact OD1-CB 3.24Å; D159-S166 WeakPolarHBondContact OD1-CB 3.17Å; D159-S166 PolarHBondContact OD1-OG 2.83Å
160	S	48.4	Very low	50.8	Low	20 Å²	20	54 Å²	54	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	94.8	168.9	-172	0	0	0	0	109.3	R162 I163 G164 I165	S160-R162 PolarHBondContact O-N 3.26Å; S160-I163 PolarHBondContact O-N 2.85Å; S160-I163 VanDerWaalsContact OG-CD1 3.26Å; S160-I163 WeakPolarHBondContact OG-CD1 3.37Å; S160-I163 WeakPolarHBondContact OG-CG1 3.32Å; S160-G164 PolarHBondContact O-N 2.78Å; S160-G164 VanDerWaalsContact O-N 3.15Å; S160-I165 PolarHBondContact N-O 2.84Å
161	N	45.3	Very low	49.9	Very low	123 Å²	123	50 Å²	50	66%	0.658	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-10.9	172.1	-69.8	-9.7	0	0	0	113.5	D159 I188	D159-N161 PolarHBondContact O-N 3.13Å; N161-I188 WeakPolarHBondContact O-CD1 3.44Å; N161-I188 WeakPolarHBondContact O-CG1 3.46Å
162	R	41.5	Very low	49.3	Very low	128 Å²	128	49 Å²	49	48%	0.483	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-17.4	179.7	-61.6	-173	-177.1	-152.4	-1.4	114.3	S160 I188	S160-R162 PolarHBondContact O-N 3.26Å; R162-I188 WeakPolarHBondContact O-CG2 3.47Å
163	I	46.5	Very low	48.5	Very low	32 Å²	32	48.9 Å²	48.9	16%	0.164	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-15	-169.6	-51.5	175.4	0	0	0	111.3	L9 V11 A20 S160 I165	L9-I163 HydrophobicContact CD2-CD1 4.24Å; V11-I163 HydrophobicContact CB-CG2 4.48Å; V11-I163 HydrophobicContact CG2-CD1 3.92Å; V11-I163 HydrophobicContact CG2-CG2 3.93Å; A20-I163 HydrophobicContact CB-CB 4.33Å; A20-I163 HydrophobicContact CB-CD1 3.18Å; A20-I163 HydrophobicContact CB-CG1 3.2Å; A20-I163 HydrophobicContact CB-CG2 4.26Å; S160-I163 PolarHBondContact O-N 2.85Å; S160-I163 VanDerWaalsContact OG-CD1 3.26Å; S160-I163 WeakPolarHBondContact OG-CD1 3.37Å; S160-I163 WeakPolarHBondContact OG-CG1 3.32Å; I163-I165 VanDerWaalsContact C-N 3.29Å; I163-I165 HydrophobicContact CG2-CD1 3.77Å; I163-I165 HydrophobicContact CG2-CG1 3.97Å; I163-I165 PolarHBondContact O-N 2.76Å
164	G	47.3	Very low	47.5	Very low	6 Å²	6	49.4 Å²	49.4	6%	0.062	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	43.6	-175.4	0	0	0	0	0	112.2	S160 P184 I185	S160-G164 PolarHBondContact O-N 2.78Å; S160-G164 VanDerWaalsContact O-N 3.15Å; G164-P184 CarbonylContact O-C 3.54Å; G164-P184 WeakPolarHBondContact O-CA 3.33Å; G164-I185 PolarHBondContact O-N 3.21Å
165	I	43.7	Very low	46.9	Very low	8 Å²	8	51.7 Å²	51.7	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.6	172.7	-59.3	178.6	0	0	0	107.3	S160 I163 L167 I182 K183 L237 F243	S160-I165 PolarHBondContact N-O 2.84Å; I163-I165 VanDerWaalsContact C-N 3.29Å; I163-I165 HydrophobicContact CG2-CD1 3.77Å; I163-I165 HydrophobicContact CG2-CG1 3.97Å; I163-I165 PolarHBondContact O-N 2.76Å; I165-L167 HydrophobicContact CG2-CD2 3.94Å; I165-L167 HydrophobicContact CG2-CG 4.06Å; I165-I182 HydrophobicContact CG2-CG2 3.71Å; I165-K183 WeakPolarHBondContact CA-O 3.46Å; I165-L237 HydrophobicContact CD1-CD2 3.19Å; I165-F243 HydrophobicContact CD1-CZ 4.27Å
166	S	50.6	Low	46.2	Very low	26 Å²	26	50.5 Å²	50.5	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	166.7	-171.2	0	0	0	0	108.6	D159 K183	D159-S166 VanDerWaalsContact OD1-CB 3.24Å; D159-S166 WeakPolarHBondContact OD1-CB 3.17Å; D159-S166 PolarHBondContact OD1-OG 2.83Å; S166-K183 PolarHBondContact N-O 2.83Å; S166-K183 VanDerWaalsContact N-O 3.13Å; S166-K183 PolarHBondContact O-N 3Å
167	L	47.5	Very low	46	Very low	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.6	174.3	-59.7	169.7	0	0	0	109.2	L9 K157 L158 I165 I169 I179 I182 L235	L9-L167 HydrophobicContact CD1-CD1 4.15Å; L9-L167 HydrophobicContact CD2-CD1 4.1Å; K157-L167 WeakPolarHBondContact CA-O 3.38Å; L158-L167 HydrophobicContact CB-CB 4.23Å; L158-L167 HydrophobicContact CD1-CD1 4.29Å; L158-L167 PolarHBondContact N-O 2.78Å; L158-L167 PolarHBondContact O-N 2.76Å; I165-L167 HydrophobicContact CG2-CD2 3.94Å; I165-L167 HydrophobicContact CG2-CG 4.06Å; L167-I169 HydrophobicContact CB-CD1 4.41Å; L167-I169 HydrophobicContact CB-CG1 4.27Å; L167-I179 HydrophobicContact CD2-CG2 4.27Å; L167-I182 HydrophobicContact CD2-CD1 4.46Å; L167-I182 HydrophobicContact CD2-CG1 3.87Å; L167-I182 HydrophobicContact CD2-CG2 4.43Å; L167-L235 HydrophobicContact CD1-CD1 4.28Å
168	S	48.1	Very low	45.7	Very low	22 Å²	22	45.7 Å²	45.7	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	105.2	165	-74.8	0	0	0	0	108.5	E155 R180	E155-S168 WeakPolarHBondContact OE1-CB 3.24Å; E155-S168 PolarHBondContact OE1-OG 2.84Å; S168-R180 PolarHBondContact O-N 3.21Å
169	I	48.3	Very low	45.6	Very low	9 Å²	9	45.4 Å²	45.4	5%	0.046	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.4	179	-66.3	169.6	0	0	0	108	E155 V156 L158 L167 I177 T178 I179 L235	E155-I169 CarbonylContact C-O 3.53Å; E155-I169 WeakPolarHBondContact CA-O 3.39Å; V156-I169 HydrophobicContact CB-CB 4.36Å; V156-I169 PolarHBondContact N-O 2.95Å; V156-I169 PolarHBondContact O-N 3.33Å; L158-I169 HydrophobicContact CD1-CD1 3.39Å; L158-I169 HydrophobicContact CG-CD1 4.03Å; L167-I169 HydrophobicContact CB-CD1 4.41Å; L167-I169 HydrophobicContact CB-CG1 4.27Å; I169-I177 HydrophobicContact CB-CG2 4.08Å; I169-I177 HydrophobicContact CD1-CG2 4.12Å; I169-I177 HydrophobicContact CG1-CG2 3.74Å; I169-I177 HydrophobicContact CG2-CB 4.21Å; I169-I177 HydrophobicContact CG2-CG1 4.37Å; I169-I177 HydrophobicContact CG2-CG2 3.4Å; I169-I177 VanDerWaalsContact CG2-CG2 3.4Å; I169-T178 WeakPolarHBondContact CA-O 3.44Å; I169-I179 HydrophobicContact CG1-CG1 4.41Å; I169-L235 HydrophobicContact CD1-CD1 3.62Å
170	Y	49.5	Very low	45.5	Very low	35 Å²	35	47.1 Å²	47.1	14%	0.137	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.5	165	-67.2	-83.3	0	0	0	108.8	L153 D154 E155 I172 T178 R180	L153-Y170 HydrophobicContact CB-CD1 3.28Å; L153-Y170 HydrophobicContact CB-CE1 3.77Å; L153-Y170 HydrophobicContact CB-CG 4.21Å; L153-Y170 HydrophobicContact CD1-CD1 4.02Å; L153-Y170 HydrophobicContact CD1-CE1 4.42Å; L153-Y170 HydrophobicContact CD1-CG 4.34Å; L153-Y170 HydrophobicContact CG-CD1 4.31Å; D154-Y170 WeakPolarHBondContact O-CA 3.29Å; E155-Y170 HydrophobicContact CB-CD1 4.31Å; E155-Y170 HydrophobicContact CB-CE1 4.07Å; E155-Y170 HydrophobicContact CG-CE1 4.36Å; Y170-I172 PolarHBondContact O-N 3.15Å; Y170-I172 VanDerWaalsContact O-N 3.1Å; Y170-T178 PolarHBondContact N-O 3.33Å; Y170-T178 VanDerWaalsContact N-O 3.14Å; Y170-R180 HydrophobicContact CD2-CG 3.88Å; Y170-R180 HydrophobicContact CE2-CB 4Å; Y170-R180 HydrophobicContact CE2-CG 3.42Å; Y170-R180 VanDerWaalsContact CE2-CG 3.42Å; Y170-R180 VanDerWaalsContact CE2-NE 3.31Å
171	K	45	Very low	45.4	Very low	83 Å²	83	47.8 Å²	47.8	36%	0.361	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	88.5	176.2	-174.5	-174.1	175	-168.6	0	108	G146 D154 V156 W173	G146-K171 WeakPolarHBondContact CA-O 3.31Å; D154-K171 HydrophobicContact CB-CB 4.4Å; D154-K171 PolarHBondContact O-N 2.81Å; V156-K171 HydrophobicContact CG2-CB 4.39Å; K171-W173 PolarHBondContact O-N 3.47Å
172	I	45.9	Very low	45.5	Very low	11 Å²	11	45 Å²	45	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101.3	168	-59	151.4	0	0	0	106.3	L70 I145 Y170 F175 V176 T178	L70-I172 HydrophobicContact CD1-CD1 3.53Å; L70-I172 HydrophobicContact CD1-CG1 4.26Å; L70-I172 HydrophobicContact CD2-CD1 3.67Å; L70-I172 HydrophobicContact CG-CD1 4.12Å; I145-I172 HydrophobicContact CG2-CG2 3.97Å; I145-I172 WeakPolarHBondContact O-CA 3.28Å; I145-I172 WeakPolarHBondContact O-CG1 3.26Å; Y170-I172 PolarHBondContact O-N 3.15Å; Y170-I172 VanDerWaalsContact O-N 3.1Å; I172-F175 PolarHBondContact O-N 2.99Å; I172-V176 HydrophobicContact CB-CB 3.83Å; I172-V176 WeakPolarHBondContact CB-O 3.37Å; I172-V176 HydrophobicContact CD1-CB 4Å; I172-V176 HydrophobicContact CD1-CG1 3.76Å; I172-V176 HydrophobicContact CG2-CB 3.9Å; I172-V176 HydrophobicContact CG2-CG2 4.42Å; I172-V176 PolarHBondContact N-O 3.34Å; I172-V176 PolarHBondContact O-N 2.87Å; I172-T178 WeakPolarHBondContact CD1-OG1 3.27Å
173	W	42.7	Very low	45.9	Very low	112 Å²	112	43.5 Å²	43.5	42%	0.424	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	149.5	-177.3	-162.4	82.4	0	0	0	110.2	R90 K171	R90-W173 WeakPolarHBondContact CD-O 3.4Å; R90-W173 PolarHBondContact NH1-O 3.34Å; K171-W173 PolarHBondContact O-N 3.47Å
174	P	36.6	Very low	45.9	Very low	35 Å²	35	47.6 Å²	47.6	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	5.3	-19.2	4.6	10.1	0	0	0	115.5
175	F	44	Very low	46.1	Very low	117 Å²	117	50.6 Å²	50.6	51%	0.513	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	-0.1	-163.3	-49.1	-84.4	0	0	0	118	I172 K228	I172-F175 PolarHBondContact O-N 2.99Å; F175-K228 HydrophobicContact CD1-CD 4.06Å; F175-K228 HydrophobicContact CE1-CD 3.56Å
176	V	39.7	Very low	46.2	Very low	51 Å²	51	55 Å²	55	31%	0.309	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.5	177.8	-174.8	0	0	0	0	108.8	I172	I172-V176 HydrophobicContact CB-CB 3.83Å; I172-V176 WeakPolarHBondContact CB-O 3.37Å; I172-V176 HydrophobicContact CD1-CB 4Å; I172-V176 HydrophobicContact CD1-CG1 3.76Å; I172-V176 HydrophobicContact CG2-CB 3.9Å; I172-V176 HydrophobicContact CG2-CG2 4.42Å; I172-V176 PolarHBondContact N-O 3.34Å; I172-V176 PolarHBondContact O-N 2.87Å
177	I	44.9	Very low	46	Very low	17 Å²	17	57.7 Å²	57.7	9%	0.087	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.4	166.9	-59.1	173.4	0	0	0	105.5	I169 I179 V216 A226 L233 L235	I169-I177 HydrophobicContact CB-CG2 4.08Å; I169-I177 HydrophobicContact CD1-CG2 4.12Å; I169-I177 HydrophobicContact CG1-CG2 3.74Å; I169-I177 HydrophobicContact CG2-CB 4.21Å; I169-I177 HydrophobicContact CG2-CG1 4.37Å; I169-I177 HydrophobicContact CG2-CG2 3.4Å; I169-I177 VanDerWaalsContact CG2-CG2 3.4Å; I177-I179 HydrophobicContact CG2-CD1 4.15Å; I177-I179 HydrophobicContact CG2-CG1 3.69Å; I177-V216 WeakPolarHBondContact O-CG1 3.37Å; I177-A226 HydrophobicContact CD1-CB 4.25Å; I177-L233 HydrophobicContact CD1-CD1 3.84Å; I177-L233 HydrophobicContact CD1-CD2 3.11Å; I177-L233 HydrophobicContact CD1-CG 3.5Å; I177-L233 HydrophobicContact CG1-CD2 3.42Å; I177-L233 VanDerWaalsContact CG1-CD2 3.42Å; I177-L233 HydrophobicContact CG1-CG 4.3Å; I177-L235 HydrophobicContact CD1-CD1 4.42Å; I177-L235 HydrophobicContact CD1-CD2 3.45Å; I177-L235 VanDerWaalsContact CD1-CD2 3.45Å; I177-L235 HydrophobicContact CD1-CG 4.2Å
178	T	44.7	Very low	45.6	Very low	34 Å²	34	59.9 Å²	59.9	21%	0.209	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.5	169	-53.2	0	0	0	0	108.7	L70 I169 Y170 I172 R180	L70-T178 HydrophobicContact CD2-CG2 3.73Å; L70-T178 WeakPolarHBondContact CD2-OG1 3.3Å; I169-T178 WeakPolarHBondContact CA-O 3.44Å; Y170-T178 PolarHBondContact N-O 3.33Å; Y170-T178 VanDerWaalsContact N-O 3.14Å; I172-T178 WeakPolarHBondContact CD1-OG1 3.27Å; T178-R180 HydrophobicContact CG2-CG 4.31Å
179	I	46.8	Very low	45.2	Very low	28 Å²	28	67.9 Å²	67.9	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	102.9	177.5	-60.3	-179.4	0	0	0	107.6	L167 I169 I177 I182 V216 L224	L167-I179 HydrophobicContact CD2-CG2 4.27Å; I169-I179 HydrophobicContact CG1-CG1 4.41Å; I177-I179 HydrophobicContact CG2-CD1 4.15Å; I177-I179 HydrophobicContact CG2-CG1 3.69Å; I179-I182 HydrophobicContact CG2-CD1 4.37Å; I179-I182 HydrophobicContact CG2-CG1 3.84Å; I179-V216 HydrophobicContact CD1-CG1 4.12Å; I179-V216 HydrophobicContact CG1-CG1 4.36Å; I179-L224 HydrophobicContact CD1-CD2 2.85Å; I179-L224 HydrophobicContact CD1-CG 4.3Å; I179-L224 HydrophobicContact CG1-CD2 4.34Å
180	R	48.5	Very low	44.6	Very low	90 Å²	90	71.4 Å²	71.4	34%	0.34	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-23.2	-179	-77.1	-153.3	-167.3	-125.6	4.7	113.8	S168 Y170 T178	S168-R180 PolarHBondContact O-N 3.21Å; Y170-R180 HydrophobicContact CD2-CG 3.88Å; Y170-R180 HydrophobicContact CE2-CB 4Å; Y170-R180 HydrophobicContact CE2-CG 3.42Å; Y170-R180 VanDerWaalsContact CE2-CG 3.42Å; Y170-R180 VanDerWaalsContact CE2-NE 3.31Å; T178-R180 HydrophobicContact CG2-CG 4.31Å
181	S	46.8	Very low	43.8	Very low	34 Å²	34	76.6 Å²	76.6	24%	0.238	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	141.8	-178	180	0	0	0	0	111.1	K183	S181-K183 WeakPolarHBondContact OG-CE 3.35Å; S181-K183 WeakPolarHBondContact OG-CG 3.2Å
182	I	46.1	Very low	43.3	Very low	66 Å²	66	84.3 Å²	84.3	34%	0.338	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.1	166.3	-54.6	-178.5	0	0	0	105.8	I165 L167 I179	I165-I182 HydrophobicContact CG2-CG2 3.71Å; L167-I182 HydrophobicContact CD2-CD1 4.46Å; L167-I182 HydrophobicContact CD2-CG1 3.87Å; L167-I182 HydrophobicContact CD2-CG2 4.43Å; I179-I182 HydrophobicContact CG2-CD1 4.37Å; I179-I182 HydrophobicContact CG2-CG1 3.84Å
183	K	50.6	Low	42.9	Very low	95 Å²	95	86.8 Å²	86.8	41%	0.413	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124	177.5	-66	-174.6	-179.5	-177.8	0	111	I165 S166 S181	I165-K183 WeakPolarHBondContact CA-O 3.46Å; S166-K183 PolarHBondContact N-O 2.83Å; S166-K183 VanDerWaalsContact N-O 3.13Å; S166-K183 PolarHBondContact O-N 3Å; S181-K183 WeakPolarHBondContact OG-CE 3.35Å; S181-K183 WeakPolarHBondContact OG-CG 3.2Å
184	P	47.1	Very low	42.7	Very low	119 Å²	119	89.8 Å²	89.8	77%	0.773	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.3	166.6	27.3	-30.7	0	0	0	109.5	G164	G164-P184 CarbonylContact O-C 3.54Å; G164-P184 WeakPolarHBondContact O-CA 3.33Å
185	I	50.9	Low	42.7	Very low	68 Å²	68	92.6 Å²	92.6	35%	0.349	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-99.3	116.6	173.9	-48.4	174.6	0	0	0	106.9	G164 I188	G164-I185 PolarHBondContact O-N 3.21Å; I185-I188 HydrophobicContact CB-CD1 4.12Å; I185-I188 HydrophobicContact CG2-CD1 4.15Å
186	A	47	Very low	42.7	Very low	100 Å²	100	89.6 Å²	89.6	83%	0.826	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	145.4	177.2	0	0	0	0	0	111.6
187	G	45.7	Very low	43.2	Very low	84 Å²	84	89.7 Å²	89.7	87%	0.866	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	5.2	167.4	0	0	0	0	0	116.9
188	I	38.7	Very low	43.2	Very low	47 Å²	47	97 Å²	97	24%	0.241	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-87	118	172.3	-69.4	161.9	0	0	0	109.4	N161 R162 I185	N161-I188 WeakPolarHBondContact O-CD1 3.44Å; N161-I188 WeakPolarHBondContact O-CG1 3.46Å; R162-I188 WeakPolarHBondContact O-CG2 3.47Å; I185-I188 HydrophobicContact CB-CD1 4.12Å; I185-I188 HydrophobicContact CG2-CD1 4.15Å
189	K	39.1	Very low	43.8	Very low	190 Å²	190	98.6 Å²	98.6	83%	0.826	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-74.6	127.8	169.1	-72.6	-174.8	178.1	-179.7	0	108.5	E191	K189-E191 PolarHBondContact O-N 3.43Å
190	P	35.5	Very low	43.9	Very low	83 Å²	83	102 Å²	102	54%	0.539	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-61.4	125	173.9	30.3	-39.7	0	0	0	109.7	I245	P190-I245 HydrophobicContact CB-CD1 4.18Å; P190-I245 HydrophobicContact CG-CD1 3.47Å; P190-I245 VanDerWaalsContact CG-CD1 3.47Å
191	E	34.3	Very low	43.8	Very low	144 Å²	144	102.6 Å²	102.6	67%	0.673	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-82.7	131.3	161.1	-85.7	-171.9	161.6	0	0	108.7	K189 I193	K189-E191 PolarHBondContact O-N 3.43Å; E191-I193 PolarHBondContact O-N 3.17Å
192	R	34	Very low	43.8	Very low	246 Å²	246	104.7 Å²	104.7	93%	0.928	56%	0.559	S	S	*	*			trans	-69.2	97.1	177.2	-151	-178.7	-165.5	-175.8	4.5	108.4
193	I	37.9	Very low	44.2	Very low	62 Å²	62	105.6 Å²	105.6	32%	0.318	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-68.6	139.7	170.7	-52	-159.9	0	0	0	108	A20 E191	A20-I193 HydrophobicContact CB-CD1 4.36Å; E191-I193 PolarHBondContact O-N 3.17Å
194	Q	38.1	Very low	44	Very low	175 Å²	175	103.1 Å²	103.1	82%	0.818	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-58	126.5	172.2	-79.4	-160.9	-6.6	0	0	108.8	M196	Q194-M196 PolarHBondContact O-N 3.24Å
195	P	37.4	Very low	43.8	Very low	95 Å²	95	98.7 Å²	98.7	62%	0.617	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-60.1	136.3	177.8	23.1	-30.4	0	0	0	108.9	S197	P195-S197 PolarHBondContact O-N 3.35Å
196	M	43.7	Very low	43.5	Very low	54 Å²	54	99.4 Å²	99.4	27%	0.266	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-49.2	133.7	168.7	-177.9	173.6	-69.3	0	0	109.5	V18 Q194 E200 L204	V18-M196 HydrophobicContact CG2-CB 4.35Å; Q194-M196 PolarHBondContact O-N 3.24Å; M196-E200 HydrophobicContact CG-CB 3.17Å; M196-E200 HydrophobicContact CG-CG 4.21Å; M196-E200 HydrophobicContact SD-CB 3.67Å; M196-L204 HydrophobicContact CE-CD1 3.46Å; M196-L204 VanDerWaalsContact CE-CD1 3.46Å; M196-L204 HydrophobicContact SD-CD1 3.35Å; M196-L204 WeakPolarHBondContact SD-CD1 3.37Å
197	S	49.4	Very low	43.2	Very low	53 Å²	53	98.1 Å²	98.1	37%	0.371	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-61.3	154.7	178	68.3	0	0	0	0	110.6	P195 A199 E200 W201	P195-S197 PolarHBondContact O-N 3.35Å; S197-A199 PolarHBondContact O-N 2.89Å; S197-A199 VanDerWaalsContact O-N 3.14Å; S197-E200 VanDerWaalsContact CB-OE2 3.3Å; S197-E200 WeakPolarHBondContact CB-OE2 3.36Å; S197-E200 PolarHBondContact N-OE2 2.79Å; S197-E200 PolarHBondContact O-N 3.28Å; S197-E200 VanDerWaalsContact O-N 3.09Å; S197-E200 VanDerWaalsContact OG-CD 3.29Å; S197-E200 VanDerWaalsContact OG-CG 3.28Å; S197-E200 WeakPolarHBondContact OG-CG 3.45Å; S197-E200 PolarHBondContact OG-N 3.15Å; S197-E200 PolarHBondContact OG-OE2 3.06Å; S197-W201 PolarHBondContact O-N 2.94Å
198	K	45.3	Very low	43.2	Very low	170 Å²	170	96 Å²	96	74%	0.739	49%	0.486	S	S	*	.	H	α-helix	trans	-56.4	-31.9	177.4	-169.8	174.9	-177.7	179.3	0	112.4	N202	K198-N202 WeakPolarHBondContact O-CB 3.39Å; K198-N202 PolarHBondContact O-N 2.85Å; K198-N202 PolarHBondContact O-ND2 3.14Å; K198-N202 PolarHBondContact O-OD1 2.93Å
199	A	56.9	Low	43.2	Very low	67 Å²	67	98.3 Å²	98.3	55%	0.554	51%	0.507	S	S	*	.	H	α-helix	trans	-67.6	-47	176.4	0	0	0	0	0	111.8	S197 W201 N202 S203	S197-A199 PolarHBondContact O-N 2.89Å; S197-A199 VanDerWaalsContact O-N 3.14Å; A199-W201 VanDerWaalsContact C-N 3.33Å; A199-W201 PolarHBondContact O-N 2.87Å; A199-N202 PolarHBondContact O-N 2.9Å; A199-S203 PolarHBondContact O-N 3.23Å; A199-S203 PolarHBondContact O-OG 2.98Å
200	E	50	Low	43.5	Very low	101 Å²	101	96.6 Å²	96.6	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-39.1	176	-70	163.3	134.8	0	0	111.5	M196 S197 S203 L204	M196-E200 HydrophobicContact CG-CB 3.17Å; M196-E200 HydrophobicContact CG-CG 4.21Å; M196-E200 HydrophobicContact SD-CB 3.67Å; S197-E200 VanDerWaalsContact CB-OE2 3.3Å; S197-E200 WeakPolarHBondContact CB-OE2 3.36Å; S197-E200 PolarHBondContact N-OE2 2.79Å; S197-E200 PolarHBondContact O-N 3.28Å; S197-E200 VanDerWaalsContact O-N 3.09Å; S197-E200 VanDerWaalsContact OG-CD 3.29Å; S197-E200 VanDerWaalsContact OG-CG 3.28Å; S197-E200 WeakPolarHBondContact OG-CG 3.45Å; S197-E200 PolarHBondContact OG-N 3.15Å; S197-E200 PolarHBondContact OG-OE2 3.06Å; E200-S203 PolarHBondContact O-N 2.96Å; E200-L204 PolarHBondContact O-N 3.25Å
201	W	46.3	Very low	44.2	Very low	101 Å²	101	97.3 Å²	97.3	38%	0.383	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-45.8	175.5	-155.3	104.1	0	0	0	111.4	C16 S197 A199 S203 L204 A205	C16-W201 HydrophobicContact CB-CZ2 4.46Å; S197-W201 PolarHBondContact O-N 2.94Å; A199-W201 VanDerWaalsContact C-N 3.33Å; A199-W201 PolarHBondContact O-N 2.87Å; W201-S203 VanDerWaalsContact C-N 3.33Å; W201-S203 PolarHBondContact O-N 3.01Å; W201-L204 PolarHBondContact O-N 3Å; W201-A205 HydrophobicContact CE3-CB 3.55Å; W201-A205 HydrophobicContact CH2-CB 4.15Å; W201-A205 HydrophobicContact CZ3-CB 3.28Å; W201-A205 VanDerWaalsContact O-CB 3.28Å; W201-A205 WeakPolarHBondContact O-CB 3.26Å; W201-A205 PolarHBondContact O-N 3.19Å
202	N	46.7	Very low	44.9	Very low	79 Å²	79	95.4 Å²	95.4	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176.9	-73.6	-8.1	0	0	0	111.9	K198 A199 A205 C206	K198-N202 WeakPolarHBondContact O-CB 3.39Å; K198-N202 PolarHBondContact O-N 2.85Å; K198-N202 PolarHBondContact O-ND2 3.14Å; K198-N202 PolarHBondContact O-OD1 2.93Å; A199-N202 PolarHBondContact O-N 2.9Å; N202-A205 PolarHBondContact O-N 2.71Å; N202-C206 VanDerWaalsContact O-CB 3.32Å; N202-C206 WeakPolarHBondContact O-CB 3.17Å; N202-C206 PolarHBondContact O-N 2.92Å; N202-C206 PolarHBondContact O-SG 2.82Å
203	S	53.6	Low	45.7	Very low	85 Å²	85	87.2 Å²	87.2	59%	0.594	47%	0.473	S	S	*	.	H	α-helix	trans	-63.1	-44.1	174.1	-68.2	0	0	0	0	111.8	A199 E200 W201 Y207	A199-S203 PolarHBondContact O-N 3.23Å; A199-S203 PolarHBondContact O-OG 2.98Å; E200-S203 PolarHBondContact O-N 2.96Å; W201-S203 VanDerWaalsContact C-N 3.33Å; W201-S203 PolarHBondContact O-N 3.01Å; S203-Y207 VanDerWaalsContact O-CB 3.28Å; S203-Y207 WeakPolarHBondContact O-CB 3.5Å; S203-Y207 PolarHBondContact O-N 3.03Å
204	L	46.7	Very low	46.3	Very low	42 Å²	42	89.5 Å²	89.5	22%	0.22	48%	0.484	C	S	.	.	H	α-helix	trans	-64.8	-41.7	174.3	-96.8	139.5	0	0	0	111.9	M196 E200 W201 Y207 F208	M196-L204 HydrophobicContact CE-CD1 3.46Å; M196-L204 VanDerWaalsContact CE-CD1 3.46Å; M196-L204 HydrophobicContact SD-CD1 3.35Å; M196-L204 WeakPolarHBondContact SD-CD1 3.37Å; E200-L204 PolarHBondContact O-N 3.25Å; W201-L204 PolarHBondContact O-N 3Å; L204-Y207 CarbonylContact O-C 3.55Å; L204-Y207 WeakPolarHBondContact O-CB 3.29Å; L204-Y207 PolarHBondContact O-N 3.24Å; L204-F208 HydrophobicContact CB-CE2 3.9Å; L204-F208 HydrophobicContact CB-CZ 4.11Å; L204-F208 HydrophobicContact CD2-CE1 3.77Å; L204-F208 HydrophobicContact CD2-CE2 3.83Å; L204-F208 HydrophobicContact CD2-CZ 3.17Å; L204-F208 HydrophobicContact CG-CZ 4.24Å; L204-F208 WeakPolarHBondContact O-CD1 3.31Å; L204-F208 WeakPolarHBondContact O-CD2 3.38Å; L204-F208 WeakPolarHBondContact O-CG 3.37Å; L204-F208 PolarHBondContact O-N 3Å
205	A	43	Very low	47	Very low	27 Å²	27	84.7 Å²	84.7	22%	0.223	47%	0.467	C	S	.	.	H	α-helix	trans	-69.7	-40.7	179.8	0	0	0	0	0	113.5	W201 N202 Y207 F208 S209	W201-A205 HydrophobicContact CE3-CB 3.55Å; W201-A205 HydrophobicContact CH2-CB 4.15Å; W201-A205 HydrophobicContact CZ3-CB 3.28Å; W201-A205 VanDerWaalsContact O-CB 3.28Å; W201-A205 WeakPolarHBondContact O-CB 3.26Å; W201-A205 PolarHBondContact O-N 3.19Å; N202-A205 PolarHBondContact O-N 2.71Å; A205-Y207 VanDerWaalsContact C-N 3.26Å; A205-Y207 PolarHBondContact O-N 2.92Å; A205-F208 PolarHBondContact O-N 2.88Å; A205-S209 PolarHBondContact O-N 3.4Å
206	C	45.1	Very low	47.5	Very low	82 Å²	82	82.4 Å²	82.4	55%	0.554	45%	0.451	S	S	*	.	H	α-helix	trans	-59.8	-42.7	169.8	-73	0	0	0	0	110	N202 F208 S209	N202-C206 VanDerWaalsContact O-CB 3.32Å; N202-C206 WeakPolarHBondContact O-CB 3.17Å; N202-C206 PolarHBondContact O-N 2.92Å; N202-C206 PolarHBondContact O-SG 2.82Å; C206-F208 VanDerWaalsContact C-N 3.33Å; C206-F208 PolarHBondContact O-N 2.64Å; C206-S209 PolarHBondContact O-N 2.99Å; C206-S209 PolarHBondContact O-OG 3.08Å
207	Y	39.8	Very low	47.8	Very low	73 Å²	73	81.2 Å²	81.2	29%	0.286	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-37	175.3	-166.5	-94.9	0	0	0	112.8	S203 L204 A205 F227 T229	S203-Y207 VanDerWaalsContact O-CB 3.28Å; S203-Y207 WeakPolarHBondContact O-CB 3.5Å; S203-Y207 PolarHBondContact O-N 3.03Å; L204-Y207 CarbonylContact O-C 3.55Å; L204-Y207 WeakPolarHBondContact O-CB 3.29Å; L204-Y207 PolarHBondContact O-N 3.24Å; A205-Y207 VanDerWaalsContact C-N 3.26Å; A205-Y207 PolarHBondContact O-N 2.92Å; Y207-F227 HydrophobicContact CD1-CE2 4.5Å; Y207-F227 HydrophobicContact CE1-CE2 4.3Å; Y207-T229 WeakPolarHBondContact CE1-OG1 3.26Å; Y207-T229 VanDerWaalsContact OH-CB 3.26Å; Y207-T229 WeakPolarHBondContact OH-CB 3.42Å; Y207-T229 PolarHBondContact OH-OG1 3.37Å
208	F	45.5	Very low	47.6	Very low	39 Å²	39	84.6 Å²	84.6	17%	0.171	46%	0.46	C	S	.	.	H	α-helix	trans	-71.7	-27.9	175.1	-60.8	-31.8	0	0	0	113.6	L204 A205 C206 E210 Q211 F227 L236	L204-F208 HydrophobicContact CB-CE2 3.9Å; L204-F208 HydrophobicContact CB-CZ 4.11Å; L204-F208 HydrophobicContact CD2-CE1 3.77Å; L204-F208 HydrophobicContact CD2-CE2 3.83Å; L204-F208 HydrophobicContact CD2-CZ 3.17Å; L204-F208 HydrophobicContact CG-CZ 4.24Å; L204-F208 WeakPolarHBondContact O-CD1 3.31Å; L204-F208 WeakPolarHBondContact O-CD2 3.38Å; L204-F208 WeakPolarHBondContact O-CG 3.37Å; L204-F208 PolarHBondContact O-N 3Å; A205-F208 PolarHBondContact O-N 2.88Å; C206-F208 VanDerWaalsContact C-N 3.33Å; C206-F208 PolarHBondContact O-N 2.64Å; F208-E210 PolarHBondContact O-N 2.95Å; F208-Q211 PolarHBondContact O-N 3.22Å; F208-Q211 VanDerWaalsContact O-O 3.05Å; F208-F227 HydrophobicContact CD1-CE1 4.17Å; F208-F227 HydrophobicContact CD1-CE2 4.34Å; F208-F227 HydrophobicContact CD1-CZ 4.1Å; F208-F227 HydrophobicContact CE1-CD1 4.15Å; F208-F227 HydrophobicContact CE1-CD2 4.42Å; F208-F227 AromaticContact CE1-CE1 3.37Å; F208-F227 HydrophobicContact CE1-CE1 3.37Å; F208-F227 AromaticContact CE1-CE2 3.71Å; F208-F227 HydrophobicContact CE1-CE2 3.71Å; F208-F227 AromaticContact CE1-CZ 3.15Å; F208-F227 HydrophobicContact CE1-CZ 3.15Å; F208-F227 AromaticContact CZ-CE1 3.92Å; F208-F227 HydrophobicContact CZ-CE1 3.92Å; F208-F227 AromaticContact CZ-CZ 3.84Å; F208-F227 HydrophobicContact CZ-CZ 3.84Å; F208-L236 HydrophobicContact CE1-CD1 4.44Å; F208-L236 HydrophobicContact CE2-CD1 4.37Å; F208-L236 HydrophobicContact CZ-CD1 4.01Å; F208-L236 HydrophobicContact CZ-CD2 4.37Å
209	S	39.8	Very low	48	Very low	97 Å²	97	79.5 Å²	79.5	68%	0.678	45%	0.445	S	S	*	.	H	α-helix	trans	-67.2	-17.5	179.3	73.7	0	0	0	0	113.2	A205 C206	A205-S209 PolarHBondContact O-N 3.4Å; C206-S209 PolarHBondContact O-N 2.99Å; C206-S209 PolarHBondContact O-OG 3.08Å
210	E	44.8	Very low	47.7	Very low	153 Å²	153	80.9 Å²	80.9	72%	0.715	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-4.4	-177.8	-63.4	-175.2	173.4	0	0	114.1	F208	F208-E210 PolarHBondContact O-N 2.95Å
211	Q	49.4	Very low	47.8	Very low	98 Å²	98	79.9 Å²	79.9	46%	0.458	46%	0.455	S	S	.	.	S	Bend	trans	-132	132.8	-178	-66.2	-69.1	-40.8	0	0	110.8	F208 L213	F208-Q211 PolarHBondContact O-N 3.22Å; F208-Q211 VanDerWaalsContact O-O 3.05Å; Q211-L213 PolarHBondContact O-N 3.32Å; Q211-L213 VanDerWaalsContact O-N 3.15Å
212	P	48.7	Very low	48.1	Very low	104 Å²	104	76.1 Å²	76.1	68%	0.675	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-64.5	119	175.7	26	-31.3	0	0	0	109.8	I214	P212-I214 PolarHBondContact O-N 2.82Å
213	L	51.4	Low	48.4	Very low	75 Å²	75	77.8 Å²	77.8	39%	0.393	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-68.4	116.7	169.8	-73.1	171.2	0	0	0	108.7	Q211 F225 F227 L236	Q211-L213 PolarHBondContact O-N 3.32Å; Q211-L213 VanDerWaalsContact O-N 3.15Å; L213-F225 HydrophobicContact CB-CD1 4.18Å; L213-F225 HydrophobicContact CD2-CB 4.34Å; L213-F227 HydrophobicContact CD2-CB 4.47Å; L213-F227 HydrophobicContact CD2-CD1 3.79Å; L213-F227 HydrophobicContact CD2-CG 4.37Å; L213-L236 HydrophobicContact CD2-CD1 3.98Å
214	I	51.4	Low	48.6	Very low	110 Å²	110	73.9 Å²	73.9	56%	0.564	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.2	176	-55.8	175.2	0	0	0	107.4	P212 V216 F225 A226	P212-I214 PolarHBondContact O-N 2.82Å; I214-V216 HydrophobicContact CG2-CG2 4.38Å; I214-V216 PolarHBondContact O-N 3.5Å; I214-F225 CarbonylContact O-C 3.59Å; I214-F225 VanDerWaalsContact O-CA 3.26Å; I214-F225 WeakPolarHBondContact O-CA 3.44Å; I214-A226 PolarHBondContact N-O 2.67Å; I214-A226 PolarHBondContact O-N 2.94Å
215	T	51.6	Low	49	Very low	74 Å²	74	73.7 Å²	73.7	45%	0.454	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	115.9	170	-56.5	0	0	0	0	107.6	F225	T215-F225 WeakPolarHBondContact OG1-CE1 3.23Å
216	V	48.8	Very low	49.6	Very low	47 Å²	47	72.9 Å²	72.9	29%	0.285	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-28.6	-175.6	-176.5	0	0	0	0	111.7	I177 I179 I214 L224 A226	I177-V216 WeakPolarHBondContact O-CG1 3.37Å; I179-V216 HydrophobicContact CD1-CG1 4.12Å; I179-V216 HydrophobicContact CG1-CG1 4.36Å; I214-V216 HydrophobicContact CG2-CG2 4.38Å; I214-V216 PolarHBondContact O-N 3.5Å; V216-L224 PolarHBondContact N-O 3.21Å; V216-A226 HydrophobicContact CG2-CB 3.39Å
217	A	49.1	Very low	50	Low	28 Å²	28	69.7 Å²	69.7	23%	0.231	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	141.7	174.5	0	0	0	0	0	110.6	L224	A217-L224 HydrophobicContact CB-CB 4.32Å; A217-L224 PolarHBondContact N-O 3.28Å; A217-L224 PolarHBondContact O-N 2.81Å
218	E	45.1	Very low	50.3	Low	124 Å²	124	71 Å²	71	58%	0.579	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.7	171.3	-177.2	163.5	-161.3	0	0	110.2	R223	E218-R223 HydrophobicContact CG-CG 3.99Å; E218-R223 IonicContact OE1-CZ 3.45Å; E218-R223 IonicContact OE1-NE 2.66Å; E218-R223 PolarHBondContact OE1-NE 2.97Å; E218-R223 IonicContact OE1-NH2 3.09Å; E218-R223 PolarHBondContact OE1-NH2 3.43Å
219	S	53.5	Low	50.3	Low	63 Å²	63	70.3 Å²	70.3	44%	0.441	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	165	166.4	67.7	0	0	0	0	107.8	N221 C222	S219-N221 PolarHBondContact O-N 2.7Å; S219-C222 PolarHBondContact N-O 2.91Å; S219-C222 PolarHBondContact O-N 3.21Å; S219-C222 VanDerWaalsContact O-N 3.13Å; S219-C222 VanDerWaalsContact O-O 3.08Å; S219-C222 PolarHBondContact OG-N 3.21Å; S219-C222 PolarHBondContact OG-O 3.48Å
220	A	51.5	Low	50.3	Low	96 Å²	96	73.3 Å²	73.3	79%	0.793	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-31.4	-175.4	0	0	0	0	0	114.5
221	N	52.1	Low	49.9	Very low	80 Å²	80	68.1 Å²	68.1	43%	0.428	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-6.5	-175.2	-64	-31.5	0	0	0	115.3	S219 A239 S240	S219-N221 PolarHBondContact O-N 2.7Å; N221-A239 CarbonylContact O-C 3.58Å; N221-A239 VanDerWaalsContact O-CA 3.28Å; N221-A239 WeakPolarHBondContact O-CA 3.24Å; N221-S240 VanDerWaalsContact CA-OG 3.29Å; N221-S240 WeakPolarHBondContact CA-OG 3.3Å; N221-S240 PolarHBondContact O-N 2.79Å; N221-S240 PolarHBondContact O-OG 2.75Å
222	C	53.2	Low	49.4	Very low	23 Å²	23	66.1 Å²	66.1	16%	0.155	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136	-174.6	-69	0	0	0	0	111.5	S219 L237 H238	S219-C222 PolarHBondContact N-O 2.91Å; S219-C222 PolarHBondContact O-N 3.21Å; S219-C222 VanDerWaalsContact O-N 3.13Å; S219-C222 VanDerWaalsContact O-O 3.08Å; S219-C222 PolarHBondContact OG-N 3.21Å; S219-C222 PolarHBondContact OG-O 3.48Å; C222-L237 HydrophobicContact CB-CD1 4.15Å; C222-H238 CarbonylContact C-O 3.54Å; C222-H238 VanDerWaalsContact CA-O 3.31Å; C222-H238 WeakPolarHBondContact CA-O 3.08Å
223	R	52.1	Low	49.3	Very low	114 Å²	114	62.8 Å²	62.8	43%	0.43	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.1	169.4	-68.4	178.6	177.3	176.8	-6.2	109	E218 F225 H238	E218-R223 HydrophobicContact CG-CG 3.99Å; E218-R223 IonicContact OE1-CZ 3.45Å; E218-R223 IonicContact OE1-NE 2.66Å; E218-R223 PolarHBondContact OE1-NE 2.97Å; E218-R223 IonicContact OE1-NH2 3.09Å; E218-R223 PolarHBondContact OE1-NH2 3.43Å; R223-F225 HydrophobicContact CB-CE2 3.71Å; R223-F225 HydrophobicContact CB-CZ 3.81Å; R223-H238 HydrophobicContact CB-CB 4.37Å; R223-H238 PolarHBondContact N-O 3.37Å; R223-H238 PolarHBondContact O-N 3.28Å
224	L	58.1	Low	49.4	Very low	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.4	169.9	-167.2	84.2	0	0	0	110	L9 I179 V216 A217 L235 L236 L237	L9-L224 HydrophobicContact CD1-CD1 4.46Å; I179-L224 HydrophobicContact CD1-CD2 2.85Å; I179-L224 HydrophobicContact CD1-CG 4.3Å; I179-L224 HydrophobicContact CG1-CD2 4.34Å; V216-L224 PolarHBondContact N-O 3.21Å; A217-L224 HydrophobicContact CB-CB 4.32Å; A217-L224 PolarHBondContact N-O 3.28Å; A217-L224 PolarHBondContact O-N 2.81Å; L224-L235 HydrophobicContact CD1-CB 4.25Å; L224-L235 HydrophobicContact CD2-CD2 3.93Å; L224-L235 HydrophobicContact CG-CD2 4.49Å; L224-L236 CarbonylContact C-O 3.58Å; L224-L236 VanDerWaalsContact CA-O 3.3Å; L224-L236 WeakPolarHBondContact CA-O 3.44Å; L224-L236 WeakPolarHBondContact CD1-O 3.04Å; L224-L237 HydrophobicContact CB-CD1 4.16Å; L224-L237 HydrophobicContact CD1-CB 3.68Å; L224-L237 HydrophobicContact CD1-CD1 3.74Å; L224-L237 HydrophobicContact CD1-CG 4.31Å
225	F	55.5	Low	49.9	Very low	39 Å²	39	54.5 Å²	54.5	17%	0.171	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.8	171	-49.3	-89.8	0	0	0	109.6	L213 I214 T215 R223 L235 L236 H238	L213-F225 HydrophobicContact CB-CD1 4.18Å; L213-F225 HydrophobicContact CD2-CB 4.34Å; I214-F225 CarbonylContact O-C 3.59Å; I214-F225 VanDerWaalsContact O-CA 3.26Å; I214-F225 WeakPolarHBondContact O-CA 3.44Å; T215-F225 WeakPolarHBondContact OG1-CE1 3.23Å; R223-F225 HydrophobicContact CB-CE2 3.71Å; R223-F225 HydrophobicContact CB-CZ 3.81Å; F225-L235 CarbonylContact O-C 3.49Å; F225-L235 WeakPolarHBondContact O-CA 3.45Å; F225-L236 HydrophobicContact CB-CB 4.14Å; F225-L236 HydrophobicContact CB-CD1 4.47Å; F225-L236 HydrophobicContact CD2-CB 4.29Å; F225-L236 PolarHBondContact N-O 3.25Å; F225-L236 PolarHBondContact O-N 2.92Å; F225-H238 HydrophobicContact CE2-CB 3.97Å
226	A	55	Low	50.3	Low	9 Å²	9	51.6 Å²	51.6	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.2	167.4	0	0	0	0	0	110.3	I177 I214 V216 L233 V234 L235	I177-A226 HydrophobicContact CD1-CB 4.25Å; I214-A226 PolarHBondContact N-O 2.67Å; I214-A226 PolarHBondContact O-N 2.94Å; V216-A226 HydrophobicContact CG2-CB 3.39Å; A226-L233 HydrophobicContact CB-CD1 4.5Å; A226-V234 VanDerWaalsContact CA-O 3.27Å; A226-V234 WeakPolarHBondContact CA-O 3.36Å; A226-L235 HydrophobicContact CB-CD2 3.69Å
227	F	53.4	Low	51.1	Low	15 Å²	15	49.5 Å²	49.5	7%	0.066	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.5	167.2	66.2	-84.7	0	0	0	110.1	Y207 F208 L213 T229 V234 L236	Y207-F227 HydrophobicContact CD1-CE2 4.5Å; Y207-F227 HydrophobicContact CE1-CE2 4.3Å; F208-F227 HydrophobicContact CD1-CE1 4.17Å; F208-F227 HydrophobicContact CD1-CE2 4.34Å; F208-F227 HydrophobicContact CD1-CZ 4.1Å; F208-F227 HydrophobicContact CE1-CD1 4.15Å; F208-F227 HydrophobicContact CE1-CD2 4.42Å; F208-F227 AromaticContact CE1-CE1 3.37Å; F208-F227 HydrophobicContact CE1-CE1 3.37Å; F208-F227 AromaticContact CE1-CE2 3.71Å; F208-F227 HydrophobicContact CE1-CE2 3.71Å; F208-F227 AromaticContact CE1-CZ 3.15Å; F208-F227 HydrophobicContact CE1-CZ 3.15Å; F208-F227 AromaticContact CZ-CE1 3.92Å; F208-F227 HydrophobicContact CZ-CE1 3.92Å; F208-F227 AromaticContact CZ-CZ 3.84Å; F208-F227 HydrophobicContact CZ-CZ 3.84Å; L213-F227 HydrophobicContact CD2-CB 4.47Å; L213-F227 HydrophobicContact CD2-CD1 3.79Å; L213-F227 HydrophobicContact CD2-CG 4.37Å; F227-T229 HydrophobicContact CE2-CG2 4.14Å; F227-V234 HydrophobicContact CD1-CB 4.08Å; F227-V234 HydrophobicContact CD1-CG1 4.4Å; F227-V234 HydrophobicContact CD2-CB 4.34Å; F227-V234 HydrophobicContact CE1-CB 3.43Å; F227-V234 VanDerWaalsContact CE1-CB 3.43Å; F227-V234 HydrophobicContact CE1-CG1 3.4Å; F227-V234 VanDerWaalsContact CE1-CG1 3.4Å; F227-V234 HydrophobicContact CE1-CG2 4.28Å; F227-V234 HydrophobicContact CE2-CB 3.73Å; F227-V234 HydrophobicContact CE2-CG1 4.33Å; F227-V234 HydrophobicContact CE2-CG2 3.71Å; F227-V234 HydrophobicContact CG-CB 4.48Å; F227-V234 HydrophobicContact CZ-CB 3.18Å; F227-V234 HydrophobicContact CZ-CG1 3.32Å; F227-V234 HydrophobicContact CZ-CG2 3.52Å; F227-V234 PolarHBondContact N-O 3.04Å; F227-V234 PolarHBondContact O-N 2.93Å; F227-L236 HydrophobicContact CD1-CD1 4.11Å; F227-L236 HydrophobicContact CD1-CG 4.37Å; F227-L236 HydrophobicContact CE1-CD1 3.66Å; F227-L236 HydrophobicContact CE1-CD2 4.18Å; F227-L236 HydrophobicContact CE1-CG 3.76Å
228	K	46.3	Very low	51.4	Low	100 Å²	100	51 Å²	51	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.2	177.8	-174.1	179	178.8	-179.6	0	109.9	F175 F232	F175-K228 HydrophobicContact CD1-CD 4.06Å; F175-K228 HydrophobicContact CE1-CD 3.56Å; K228-F232 WeakPolarHBondContact CA-O 3.38Å
229	T	44.5	Very low	52	Low	26 Å²	26	45.1 Å²	45.1	16%	0.16	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	126.8	170.7	179.5	0	0	0	0	110	Y207 F227 G231 F232 V234	Y207-T229 WeakPolarHBondContact CE1-OG1 3.26Å; Y207-T229 VanDerWaalsContact OH-CB 3.26Å; Y207-T229 WeakPolarHBondContact OH-CB 3.42Å; Y207-T229 PolarHBondContact OH-OG1 3.37Å; F227-T229 HydrophobicContact CE2-CG2 4.14Å; T229-G231 VanDerWaalsContact C-N 3.27Å; T229-G231 PolarHBondContact O-N 3.46Å; T229-F232 HydrophobicContact CG2-CB 4.02Å; T229-F232 PolarHBondContact N-O 2.82Å; T229-F232 WeakPolarHBondContact O-CA 3.37Å; T229-F232 VanDerWaalsContact O-CB 3.31Å; T229-F232 WeakPolarHBondContact O-CB 3.31Å; T229-F232 WeakPolarHBondContact O-CD2 3.33Å; T229-F232 PolarHBondContact O-N 3.46Å; T229-V234 HydrophobicContact CG2-CG2 3.93Å
230	H	41.2	Very low	51.7	Low	160 Å²	160	44.9 Å²	44.9	74%	0.741	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	38.7	46.3	168.3	-59.7	88.5	0	0	0	116.5	F232	H230-F232 VanDerWaalsContact O-CD2 3.24Å; H230-F232 WeakPolarHBondContact O-CD2 3.37Å; H230-F232 VanDerWaalsContact O-CE2 3.31Å; H230-F232 WeakPolarHBondContact O-CE2 3.24Å
231	G	36.4	Very low	51.5	Low	43 Å²	43	45.6 Å²	45.6	44%	0.443	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-0	-179.8	0	0	0	0	0	116	T229	T229-G231 VanDerWaalsContact C-N 3.27Å; T229-G231 PolarHBondContact O-N 3.46Å
232	F	39	Very low	51.2	Low	56 Å²	56	45.5 Å²	45.5	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	150.4	178	-56.4	-85.9	0	0	0	111.2	D6 W8 K228 T229 H230	D6-F232 HydrophobicContact CB-CD1 3.44Å; D6-F232 VanDerWaalsContact CB-CD1 3.44Å; D6-F232 HydrophobicContact CB-CE1 3.54Å; D6-F232 WeakPolarHBondContact OD2-CE1 3.29Å; W8-F232 AromaticContact NE1-CD1 3.8Å; K228-F232 WeakPolarHBondContact CA-O 3.38Å; T229-F232 HydrophobicContact CG2-CB 4.02Å; T229-F232 PolarHBondContact N-O 2.82Å; T229-F232 WeakPolarHBondContact O-CA 3.37Å; T229-F232 VanDerWaalsContact O-CB 3.31Å; T229-F232 WeakPolarHBondContact O-CB 3.31Å; T229-F232 WeakPolarHBondContact O-CD2 3.33Å; T229-F232 PolarHBondContact O-N 3.46Å; H230-F232 VanDerWaalsContact O-CD2 3.24Å; H230-F232 WeakPolarHBondContact O-CD2 3.37Å; H230-F232 VanDerWaalsContact O-CE2 3.31Å; H230-F232 WeakPolarHBondContact O-CE2 3.24Å
233	L	46.5	Very low	50.8	Low	34 Å²	34	48.6 Å²	48.6	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.8	169.6	-175.3	57.3	0	0	0	107.9	I5 D6 V7 W8 I177 A226	I5-L233 HydrophobicContact CG2-CB 3.71Å; D6-L233 PolarHBondContact O-N 3.35Å; V7-L233 WeakPolarHBondContact CA-O 3.28Å; W8-L233 PolarHBondContact N-O 2.92Å; I177-L233 HydrophobicContact CD1-CD1 3.84Å; I177-L233 HydrophobicContact CD1-CD2 3.11Å; I177-L233 HydrophobicContact CD1-CG 3.5Å; I177-L233 HydrophobicContact CG1-CD2 3.42Å; I177-L233 VanDerWaalsContact CG1-CD2 3.42Å; I177-L233 HydrophobicContact CG1-CG 4.3Å; A226-L233 HydrophobicContact CB-CD1 4.5Å
234	V	53.9	Low	49.9	Very low	11 Å²	11	49.7 Å²	49.7	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.3	-178.4	-177.1	0	0	0	0	108.7	W8 I10 A226 F227 T229 L236	W8-V234 HydrophobicContact CB-CG2 4.43Å; W8-V234 WeakPolarHBondContact O-CA 3.35Å; I10-V234 HydrophobicContact CD1-CG1 4.24Å; A226-V234 VanDerWaalsContact CA-O 3.27Å; A226-V234 WeakPolarHBondContact CA-O 3.36Å; F227-V234 HydrophobicContact CD1-CB 4.08Å; F227-V234 HydrophobicContact CD1-CG1 4.4Å; F227-V234 HydrophobicContact CD2-CB 4.34Å; F227-V234 HydrophobicContact CE1-CB 3.43Å; F227-V234 VanDerWaalsContact CE1-CB 3.43Å; F227-V234 HydrophobicContact CE1-CG1 3.4Å; F227-V234 VanDerWaalsContact CE1-CG1 3.4Å; F227-V234 HydrophobicContact CE1-CG2 4.28Å; F227-V234 HydrophobicContact CE2-CB 3.73Å; F227-V234 HydrophobicContact CE2-CG1 4.33Å; F227-V234 HydrophobicContact CE2-CG2 3.71Å; F227-V234 HydrophobicContact CG-CB 4.48Å; F227-V234 HydrophobicContact CZ-CB 3.18Å; F227-V234 HydrophobicContact CZ-CG1 3.32Å; F227-V234 HydrophobicContact CZ-CG2 3.52Å; F227-V234 PolarHBondContact N-O 3.04Å; F227-V234 PolarHBondContact O-N 2.93Å; T229-V234 HydrophobicContact CG2-CG2 3.93Å; V234-L236 HydrophobicContact CG1-CD2 4.08Å; V234-L236 HydrophobicContact CG1-CG 4.4Å
235	L	61.7	Low	48.7	Very low	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.3	173.2	-68.1	-179.2	0	0	0	108.7	V7 W8 L9 I10 L158 L167 I169 I177 L224 F225 A226	V7-L235 HydrophobicContact CG1-CD1 4.01Å; V7-L235 HydrophobicContact CG1-CG 4.28Å; W8-L235 PolarHBondContact O-N 3.36Å; L9-L235 HydrophobicContact CD1-CB 3.81Å; I10-L235 PolarHBondContact N-O 3.49Å; L158-L235 HydrophobicContact CD1-CD1 4.39Å; L167-L235 HydrophobicContact CD1-CD1 4.28Å; I169-L235 HydrophobicContact CD1-CD1 3.62Å; I177-L235 HydrophobicContact CD1-CD1 4.42Å; I177-L235 HydrophobicContact CD1-CD2 3.45Å; I177-L235 VanDerWaalsContact CD1-CD2 3.45Å; I177-L235 HydrophobicContact CD1-CG 4.2Å; L224-L235 HydrophobicContact CD1-CB 4.25Å; L224-L235 HydrophobicContact CD2-CD2 3.93Å; L224-L235 HydrophobicContact CG-CD2 4.49Å; F225-L235 CarbonylContact O-C 3.49Å; F225-L235 WeakPolarHBondContact O-CA 3.45Å; A226-L235 HydrophobicContact CB-CD2 3.69Å
236	L	60.3	Low	48.4	Very low	13 Å²	13	58.7 Å²	58.7	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.4	174.3	-58.1	173.3	0	0	0	109.1	I10 Y12 F208 L213 L224 F225 F227 V234	I10-L236 HydrophobicContact CB-CD2 4.15Å; I10-L236 HydrophobicContact CD1-CD2 4.38Å; I10-L236 WeakPolarHBondContact O-CA 3.28Å; Y12-L236 HydrophobicContact CD2-CD2 4.47Å; Y12-L236 HydrophobicContact CE2-CD2 3.72Å; F208-L236 HydrophobicContact CE1-CD1 4.44Å; F208-L236 HydrophobicContact CE2-CD1 4.37Å; F208-L236 HydrophobicContact CZ-CD1 4.01Å; F208-L236 HydrophobicContact CZ-CD2 4.37Å; L213-L236 HydrophobicContact CD2-CD1 3.98Å; L224-L236 CarbonylContact C-O 3.58Å; L224-L236 VanDerWaalsContact CA-O 3.3Å; L224-L236 WeakPolarHBondContact CA-O 3.44Å; L224-L236 WeakPolarHBondContact CD1-O 3.04Å; F225-L236 HydrophobicContact CB-CB 4.14Å; F225-L236 HydrophobicContact CB-CD1 4.47Å; F225-L236 HydrophobicContact CD2-CB 4.29Å; F225-L236 PolarHBondContact N-O 3.25Å; F225-L236 PolarHBondContact O-N 2.92Å; F227-L236 HydrophobicContact CD1-CD1 4.11Å; F227-L236 HydrophobicContact CD1-CG 4.37Å; F227-L236 HydrophobicContact CE1-CD1 3.66Å; F227-L236 HydrophobicContact CE1-CD2 4.18Å; F227-L236 HydrophobicContact CE1-CG 3.76Å; V234-L236 HydrophobicContact CG1-CD2 4.08Å; V234-L236 HydrophobicContact CG1-CG 4.4Å
237	L	63.8	Low	48	Very low	3 Å²	3	61.3 Å²	61.3	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.1	170.6	-171.9	71.7	0	0	0	109.6	I10 V11 Y12 I165 C222 L224 F243	I10-L237 PolarHBondContact O-N 3.47Å; V11-L237 WeakPolarHBondContact CA-O 3.35Å; V11-L237 HydrophobicContact CG1-CB 4.26Å; V11-L237 HydrophobicContact CG1-CD2 4.12Å; V11-L237 HydrophobicContact CG1-CG 4.47Å; V11-L237 HydrophobicContact CG2-CB 4.09Å; V11-L237 HydrophobicContact CG2-CD2 4.32Å; Y12-L237 PolarHBondContact N-O 3.27Å; I165-L237 HydrophobicContact CD1-CD2 3.19Å; C222-L237 HydrophobicContact CB-CD1 4.15Å; L224-L237 HydrophobicContact CB-CD1 4.16Å; L224-L237 HydrophobicContact CD1-CB 3.68Å; L224-L237 HydrophobicContact CD1-CD1 3.74Å; L224-L237 HydrophobicContact CD1-CG 4.31Å; L237-F243 HydrophobicContact CD2-CZ 4.2Å
238	H	56.7	Low	47.7	Very low	59 Å²	59	63.9 Å²	63.9	27%	0.273	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116	173.9	173.7	-85.9	0	0	0	109.8	C222 R223 F225	C222-H238 CarbonylContact C-O 3.54Å; C222-H238 VanDerWaalsContact CA-O 3.31Å; C222-H238 WeakPolarHBondContact CA-O 3.08Å; R223-H238 HydrophobicContact CB-CB 4.37Å; R223-H238 PolarHBondContact N-O 3.37Å; R223-H238 PolarHBondContact O-N 3.28Å; F225-H238 HydrophobicContact CE2-CB 3.97Å
239	A	56.5	Low	47.8	Very low	1 Å²	1	61.8 Å²	61.8	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.7	171.2	0	0	0	0	0	110.4	Y12 S14 N221 Q241 F243	Y12-A239 PolarHBondContact O-N 3.38Å; S14-A239 WeakPolarHBondContact CA-O 3.32Å; S14-A239 PolarHBondContact N-O 2.71Å; N221-A239 CarbonylContact O-C 3.58Å; N221-A239 VanDerWaalsContact O-CA 3.28Å; N221-A239 WeakPolarHBondContact O-CA 3.24Å; A239-Q241 VanDerWaalsContact C-N 3.25Å; A239-Q241 WeakPolarHBondContact CB-O 3.28Å; A239-Q241 PolarHBondContact O-N 3.31Å; A239-F243 HydrophobicContact CB-CD2 4.04Å; A239-F243 HydrophobicContact CB-CE1 4.34Å; A239-F243 HydrophobicContact CB-CE2 3.46Å; A239-F243 VanDerWaalsContact CB-CE2 3.46Å; A239-F243 HydrophobicContact CB-CZ 3.63Å
240	S	48.6	Very low	48	Very low	58 Å²	58	64 Å²	64	41%	0.406	35%	0.348	S	S	.	.	S	Bend	trans	-73.4	-19.1	-179.3	59.7	0	0	0	0	113.1	S14 N221	S14-S240 WeakPolarHBondContact CB-O 3.32Å; N221-S240 VanDerWaalsContact CA-OG 3.29Å; N221-S240 WeakPolarHBondContact CA-OG 3.3Å; N221-S240 PolarHBondContact O-N 2.79Å; N221-S240 PolarHBondContact O-OG 2.75Å
241	Q	47.3	Very low	48.5	Very low	112 Å²	112	57.6 Å²	57.6	52%	0.523	32%	0.322	S	S	.	.	S	Bend	trans	-116.7	147.1	166.3	-65	-173.7	-9.1	0	0	108.8	A239 F243	A239-Q241 VanDerWaalsContact C-N 3.25Å; A239-Q241 WeakPolarHBondContact CB-O 3.28Å; A239-Q241 PolarHBondContact O-N 3.31Å; Q241-F243 PolarHBondContact O-N 3.09Å
242	P	45.7	Very low	49.3	Very low	77 Å²	77	58.6 Å²	58.6	50%	0.5	31%	0.314	S	S	.	.			trans	-51.6	130.8	164.2	-16.4	28	0	0	0	107.4	T244	P242-T244 PolarHBondContact O-N 3.16Å
243	F	43.9	Very low	50.1	Low	89 Å²	89	58.8 Å²	58.8	39%	0.39	32%	0.319	S	S	.	.			trans	-51.1	110.7	169.7	-69.5	-81.8	0	0	0	107	V11 I165 L237 A239 Q241 I245	V11-F243 HydrophobicContact CG1-CE2 3.92Å; V11-F243 HydrophobicContact CG1-CZ 4.45Å; I165-F243 HydrophobicContact CD1-CZ 4.27Å; L237-F243 HydrophobicContact CD2-CZ 4.2Å; A239-F243 HydrophobicContact CB-CD2 4.04Å; A239-F243 HydrophobicContact CB-CE1 4.34Å; A239-F243 HydrophobicContact CB-CE2 3.46Å; A239-F243 VanDerWaalsContact CB-CE2 3.46Å; A239-F243 HydrophobicContact CB-CZ 3.63Å; Q241-F243 PolarHBondContact O-N 3.09Å; F243-I245 PolarHBondContact O-N 3.14Å; F243-I245 VanDerWaalsContact O-N 3.14Å
244	T	34.7	Very low	50.4	Low	136 Å²	136	60.9 Å²	60.9	83%	0.834	33%	0.331	S	S	*	.			trans	-75.6	106.7	173.5	-45.2	0	0	0	0	104.6	P242	P242-T244 PolarHBondContact O-N 3.16Å
245	I	32.2	Very low	50.1	Low	172 Å²	172	65.5 Å²	65.5	88%	0.882	36%	0.355	S	S	*	.			trans	-86	0	-179.1	-61.5	149.6	0	0	0	109	P190 F243	P190-I245 HydrophobicContact CB-CD1 4.18Å; P190-I245 HydrophobicContact CG-CD1 3.47Å; P190-I245 VanDerWaalsContact CG-CD1 3.47Å; F243-I245 PolarHBondContact O-N 3.14Å; F243-I245 VanDerWaalsContact O-N 3.14Å

Retrieved 245 of 245 residues in 288.9 ms (Link to these results)

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