A0A087X101_HUMAN Loading...

Cleavage and polyadenylation specificity factor subunit 1

AlphaFold DB , UniProt , Accession A0A087X101, Species HUMAN (Homo sapiens, Human), Gene CPSF1, Length 204 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	53.8	Low	80.7	Confident	248 Å²	248	118.3 Å²	118.3	100%	1.222	59%	0.585	S	S	*	*				0	142.1	0	-76	168.8	171.1	0	0	108.6
2	K	60.9	Low	81.6	Confident	214 Å²	214	125.3 Å²	125.3	93%	0.93	62%	0.616	S	S	*	*			trans	-83	150.8	178.2	-67.1	-177.1	179.4	178.8	0	109.9
3	S	79.8	Confident	82.4	Confident	90 Å²	90	120.1 Å²	120.1	63%	0.629	60%	0.599	S	S	*	*			trans	-80.8	-165.1	-179.9	-169.8	0	0	0	0	111.6
4	I	85.6	Confident	83.2	Confident	63 Å²	63	123.5 Å²	123.5	32%	0.323	61%	0.608	S	S	.	*			trans	-69.2	148.6	178.8	58.4	159.9	0	0	0	112.7	C30 V32 Y42 L57	I4-C30 HydrophobicContact CD1-CB 4.09Å; I4-V32 HydrophobicContact CD1-CG2 3.72Å; I4-V32 HydrophobicContact CG1-CG2 4.34Å; I4-V32 HydrophobicContact CG2-CG1 4.21Å; I4-V32 HydrophobicContact CG2-CG2 3.83Å; I4-Y42 HydrophobicContact CD1-CD2 3.98Å; I4-Y42 HydrophobicContact CD1-CG 4.02Å; I4-L57 HydrophobicContact CD1-CD1 3.61Å; I4-L57 HydrophobicContact CG1-CD1 4.12Å
5	S	85.3	Confident	83.7	Confident	91 Å²	91	119.5 Å²	119.5	64%	0.636	59%	0.594	S	S	*	*			trans	-130.7	132.9	173.6	-64.1	0	0	0	0	109.6
6	L	84.3	Confident	84	Confident	56 Å²	56	119.4 Å²	119.4	29%	0.293	60%	0.595	S	S	.	*			trans	-97.7	122.9	176.7	-171.9	68.8	0	0	0	109	V19	L6-V19 HydrophobicContact CB-CB 4.33Å; L6-V19 HydrophobicContact CB-CG2 4.11Å; L6-V19 HydrophobicContact CD2-CB 4.08Å; L6-V19 HydrophobicContact CD2-CG1 4.15Å; L6-V19 HydrophobicContact CD2-CG2 3.77Å; L6-V19 HydrophobicContact CG-CB 4.18Å; L6-V19 HydrophobicContact CG-CG2 3.57Å; L6-V19 WeakPolarHBondContact O-CG2 3.49Å; L6-V19 PolarHBondContact O-N 3.44Å
7	L	86.4	Confident	84.1	Confident	95 Å²	95	114.1 Å²	114.1	50%	0.497	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	143.7	-178.4	-58.4	167.5	0	0	0	109.2	L16 S17 L18	L7-L16 HydrophobicContact CB-CD1 4.38Å; L7-L16 HydrophobicContact CB-CD2 4.46Å; L7-L16 HydrophobicContact CB-CG 4.42Å; L7-L16 HydrophobicContact CD1-CD2 4.1Å; L7-L16 HydrophobicContact CD2-CD2 4.16Å; L7-L16 HydrophobicContact CG-CD2 4.46Å; L7-S17 CarbonylContact C-O 3.58Å; L7-S17 WeakPolarHBondContact CA-O 3.45Å; L7-L18 HydrophobicContact CD2-CD1 4.1Å
8	R	84.6	Confident	83.9	Confident	74 Å²	74	114.3 Å²	114.3	28%	0.279	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.5	124.8	171.4	175.4	177.2	-175.4	-161.3	1.3	109.5	S17 V19	R8-S17 PolarHBondContact N-O 2.78Å; R8-S17 PolarHBondContact O-N 3.14Å; R8-S17 PolarHBondContact O-OG 3Å; R8-V19 HydrophobicContact CB-CG2 3.79Å
9	Y	87.8	Confident	83.2	Confident	136 Å²	136	109.9 Å²	109.9	53%	0.533	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.1	133.9	165.7	-175.7	-111.4	0	0	0	109.7	E11 T15	Y9-E11 HydrophobicContact CE1-CB 4.37Å; Y9-T15 WeakPolarHBondContact CA-O 3.49Å
10	Q	89.1	Confident	81.5	Confident	73 Å²	73	108.3 Å²	108.3	34%	0.341	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	114.9	173.6	-63.7	179.9	15.9	0	0	107.9	S13 K14 T15	Q10-S13 VanDerWaalsContact CB-OG 3.29Å; Q10-S13 WeakPolarHBondContact CB-OG 3.23Å; Q10-S13 PolarHBondContact OE1-OG 3.39Å; Q10-S13 VanDerWaalsContact OE1-OG 3.13Å; Q10-K14 VanDerWaalsContact O-CA 3.23Å; Q10-K14 WeakPolarHBondContact O-CA 3.27Å; Q10-K14 PolarHBondContact O-N 3.3Å; Q10-T15 PolarHBondContact N-O 3.05Å; Q10-T15 PolarHBondContact O-N 3.32Å
11	E	90	Very high	79.9	Confident	161 Å²	161	111.9 Å²	111.9	75%	0.752	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-42.4	-173.1	-172	170.6	-165.8	0	0	112.4	Y9 S13 K14	Y9-E11 HydrophobicContact CE1-CB 4.37Å; E11-S13 PolarHBondContact O-N 2.78Å; E11-K14 WeakPolarHBondContact O-CG 3.21Å; E11-K14 PolarHBondContact O-N 3.34Å
12	E	91.6	Very high	79.4	Confident	203 Å²	203	102.6 Å²	102.6	95%	0.949	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-46.3	-179.6	-65.2	173.7	-177.7	0	0	112.6
13	S	92.3	Very high	78.5	Confident	57 Å²	57	99.5 Å²	99.5	40%	0.399	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.2	-179	61.1	0	0	0	0	113.2	Q10 E11 T15	Q10-S13 VanDerWaalsContact CB-OG 3.29Å; Q10-S13 WeakPolarHBondContact CB-OG 3.23Å; Q10-S13 PolarHBondContact OE1-OG 3.39Å; Q10-S13 VanDerWaalsContact OE1-OG 3.13Å; E11-S13 PolarHBondContact O-N 2.78Å; S13-T15 WeakPolarHBondContact O-CG2 3.38Å; S13-T15 PolarHBondContact O-N 3.39Å; S13-T15 PolarHBondContact OG-OG1 2.94Å
14	K	93.1	Very high	76.7	Confident	168 Å²	168	101.6 Å²	101.6	73%	0.73	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.2	-170.9	-58.3	-177.8	180	178.4	0	113.4	Q10 E11	Q10-K14 VanDerWaalsContact O-CA 3.23Å; Q10-K14 WeakPolarHBondContact O-CA 3.27Å; Q10-K14 PolarHBondContact O-N 3.3Å; E11-K14 WeakPolarHBondContact O-CG 3.21Å; E11-K14 PolarHBondContact O-N 3.34Å
15	T	91	Very high	75	Confident	64 Å²	64	106.9 Å²	106.9	39%	0.393	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.2	-178.4	61.8	0	0	0	0	112.1	Y9 Q10 S13	Y9-T15 WeakPolarHBondContact CA-O 3.49Å; Q10-T15 PolarHBondContact N-O 3.05Å; Q10-T15 PolarHBondContact O-N 3.32Å; S13-T15 WeakPolarHBondContact O-CG2 3.38Å; S13-T15 PolarHBondContact O-N 3.39Å; S13-T15 PolarHBondContact OG-OG1 2.94Å
16	L	89.1	Confident	73.3	Confident	117 Å²	117	113.6 Å²	113.6	61%	0.613	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.6	170.1	-170.5	110.9	0	0	0	108.8	L7	L7-L16 HydrophobicContact CB-CD1 4.38Å; L7-L16 HydrophobicContact CB-CD2 4.46Å; L7-L16 HydrophobicContact CB-CG 4.42Å; L7-L16 HydrophobicContact CD1-CD2 4.1Å; L7-L16 HydrophobicContact CD2-CD2 4.16Å; L7-L16 HydrophobicContact CG-CD2 4.46Å
17	S	84.5	Confident	72.2	Confident	30 Å²	30	121.5 Å²	121.5	21%	0.21	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123	139.3	-179.3	55.5	0	0	0	0	110.5	L7 R8 V19	L7-S17 CarbonylContact C-O 3.58Å; L7-S17 WeakPolarHBondContact CA-O 3.45Å; R8-S17 PolarHBondContact N-O 2.78Å; R8-S17 PolarHBondContact O-N 3.14Å; R8-S17 PolarHBondContact O-OG 3Å; S17-V19 PolarHBondContact O-N 3.24Å
18	L	80.8	Confident	71.3	Confident	117 Å²	117	118.9 Å²	118.9	61%	0.613	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-61.9	125.6	162.8	-177.3	68.7	0	0	0	107.1	L7 S20	L7-L18 HydrophobicContact CD2-CD1 4.1Å; L18-S20 PolarHBondContact O-N 3.31Å
19	V	70.1	Confident	71.3	Confident	31 Å²	31	119 Å²	119	19%	0.188	56%	0.564	C	S	.	*			trans	-49.8	109.2	-164.6	166.9	0	0	0	0	110.8	L6 R8 S17 Y44	L6-V19 HydrophobicContact CB-CB 4.33Å; L6-V19 HydrophobicContact CB-CG2 4.11Å; L6-V19 HydrophobicContact CD2-CB 4.08Å; L6-V19 HydrophobicContact CD2-CG1 4.15Å; L6-V19 HydrophobicContact CD2-CG2 3.77Å; L6-V19 HydrophobicContact CG-CB 4.18Å; L6-V19 HydrophobicContact CG-CG2 3.57Å; L6-V19 WeakPolarHBondContact O-CG2 3.49Å; L6-V19 PolarHBondContact O-N 3.44Å; R8-V19 HydrophobicContact CB-CG2 3.79Å; S17-V19 PolarHBondContact O-N 3.24Å; V19-Y44 HydrophobicContact CG1-CD2 4.18Å; V19-Y44 HydrophobicContact CG1-CE1 4.48Å; V19-Y44 HydrophobicContact CG1-CE2 3.74Å
20	S	50.9	Low	71.3	Confident	78 Å²	78	114.3 Å²	114.3	55%	0.545	55%	0.551	S	S	.	*			trans	-111.4	119.5	178.3	176	0	0	0	0	107.1	L18 V22	L18-S20 PolarHBondContact O-N 3.31Å; S20-V22 PolarHBondContact O-N 3.43Å; S20-V22 VanDerWaalsContact O-N 3.15Å
21	R	46.9	Very low	71.5	Confident	184 Å²	184	112.9 Å²	112.9	69%	0.694	55%	0.545	S	S	*	.	S	Bend	trans	28.5	68.4	159.1	-60.1	-174.8	-150.7	174.1	7.8	117	Y44 G53	R21-Y44 VanDerWaalsContact CA-OH 3.32Å; R21-Y44 WeakPolarHBondContact CA-OH 3.22Å; R21-Y44 PolarHBondContact N-OH 3.27Å; R21-G53 WeakPolarHBondContact CG-O 3.33Å
22	V	42.9	Very low	71.7	Confident	53 Å²	53	106.4 Å²	106.4	32%	0.321	52%	0.517	S	S	.	.			trans	-135.4	130.2	163	-177.1	0	0	0	0	113	S20 L24	S20-V22 PolarHBondContact O-N 3.43Å; S20-V22 VanDerWaalsContact O-N 3.15Å; V22-L24 HydrophobicContact CG1-CB 4.45Å; V22-L24 HydrophobicContact CG1-CD1 4Å; V22-L24 PolarHBondContact O-N 3.32Å; V22-L24 VanDerWaalsContact O-N 3.13Å
23	H	43.6	Very low	71.8	Confident	149 Å²	149	98.6 Å²	98.6	69%	0.69	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	0.4	-174.7	-91.2	37.5	0	0	0	116.6
24	L	41.8	Very low	71.8	Confident	134 Å²	134	97.9 Å²	97.9	70%	0.702	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-25.4	-166.7	-106.4	88.5	0	0	0	115	V22 R26	V22-L24 HydrophobicContact CG1-CB 4.45Å; V22-L24 HydrophobicContact CG1-CD1 4Å; V22-L24 PolarHBondContact O-N 3.32Å; V22-L24 VanDerWaalsContact O-N 3.13Å; L24-R26 PolarHBondContact O-N 2.84Å
25	W	49.5	Very low	71.8	Confident	173 Å²	173	100.2 Å²	100.2	66%	0.655	48%	0.48	S	S	*	.			trans	-102.9	75.2	-179.2	-58.4	83.1	0	0	0	109.4	R27 C28	W25-R27 PolarHBondContact O-N 2.98Å; W25-C28 HydrophobicContact CB-CB 4.24Å
26	R	50.1	Low	71.9	Confident	233 Å²	233	99.3 Å²	99.3	88%	0.879	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.8	-173.5	-67.5	-178.8	89	176.5	6	113.6	L24	L24-R26 PolarHBondContact O-N 2.84Å
27	R	59.7	Low	72.2	Confident	222 Å²	222	98.7 Å²	98.7	84%	0.838	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.4	65.5	176.8	-61.9	-172.4	176	177.4	-1.8	113.9	W25	W25-R27 PolarHBondContact O-N 2.98Å
28	C	68.4	Low	72.7	Confident	40 Å²	40	97.3 Å²	97.3	27%	0.27	45%	0.453	S	S	.	.			trans	-89.2	116.8	166.3	-85.9	0	0	0	0	111.2	W25 Y44	W25-C28 HydrophobicContact CB-CB 4.24Å; C28-Y44 PolarHBondContact O-N 3.24Å
29	S	84.3	Confident	73.4	Confident	76 Å²	76	92 Å²	92	53%	0.531	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.3	166.6	56.6	0	0	0	0	110.5	Y42	S29-Y42 CarbonylContact C-O 3.57Å; S29-Y42 WeakPolarHBondContact CA-O 3.14Å
30	C	88.3	Confident	74.6	Confident	38 Å²	38	91.2 Å²	91.2	26%	0.257	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.8	173.6	-62.8	0	0	0	0	108.1	I4 V41 Y42	I4-C30 HydrophobicContact CD1-CB 4.09Å; C30-V41 WeakPolarHBondContact O-CA 3.48Å; C30-Y42 PolarHBondContact N-O 3.48Å; C30-Y42 PolarHBondContact O-N 3.43Å
31	L	92.9	Very high	76.6	Confident	43 Å²	43	89 Å²	89	23%	0.225	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136	169.4	-177	66.7	0	0	0	109	L39 M40 V41 F72 T97 L109	L31-L39 HydrophobicContact CD1-CB 4.25Å; L31-L39 HydrophobicContact CD1-CD2 4.39Å; L31-L39 HydrophobicContact CG-CD2 4.46Å; L31-M40 CarbonylContact C-O 3.46Å; L31-M40 WeakPolarHBondContact CA-O 3.47Å; L31-V41 HydrophobicContact CD1-CG2 3.79Å; L31-F72 HydrophobicContact CD2-CD1 3.64Å; L31-F72 HydrophobicContact CD2-CE1 3.37Å; L31-F72 HydrophobicContact CD2-CZ 4.24Å; L31-F72 HydrophobicContact CG-CE1 3.99Å; L31-F72 HydrophobicContact CG-CZ 4.4Å; L31-T97 HydrophobicContact CD2-CG2 3.69Å; L31-L109 HydrophobicContact CD1-CD1 3.49Å; L31-L109 VanDerWaalsContact CD1-CD1 3.49Å; L31-L109 HydrophobicContact CD2-CD1 3.7Å; L31-L109 HydrophobicContact CG-CD1 4.26Å
32	V	93.6	Very high	78.7	Confident	25 Å²	25	81.7 Å²	81.7	15%	0.152	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.4	-175.8	-176.7	0	0	0	0	108.9	I4 L39 M40 Y42	I4-V32 HydrophobicContact CD1-CG2 3.72Å; I4-V32 HydrophobicContact CG1-CG2 4.34Å; I4-V32 HydrophobicContact CG2-CG1 4.21Å; I4-V32 HydrophobicContact CG2-CG2 3.83Å; V32-L39 CarbonylContact O-C 3.5Å; V32-L39 WeakPolarHBondContact O-CA 3.29Å; V32-M40 PolarHBondContact N-O 2.89Å; V32-M40 PolarHBondContact O-N 3.02Å; V32-Y42 HydrophobicContact CB-CD2 4.41Å; V32-Y42 HydrophobicContact CB-CE2 4.41Å; V32-Y42 HydrophobicContact CG2-CD2 3.78Å; V32-Y42 HydrophobicContact CG2-CE2 4.16Å
33	S	94.6	Very high	80.9	Confident	39 Å²	39	81.5 Å²	81.5	27%	0.273	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	152.1	162.3	53.3	0	0	0	0	110.7	N38 V69	S33-N38 WeakPolarHBondContact CA-O 3.36Å; S33-V69 WeakPolarHBondContact CB-O 3.43Å; S33-V69 PolarHBondContact OG-O 3.01Å
34	D	91.9	Very high	83	Confident	42 Å²	42	75.3 Å²	75.3	23%	0.225	34%	0.342	C	S	.	.			trans	-125.4	-179.9	175.6	70	12.6	0	0	0	113	D36 R37 N38 M40	D34-D36 VanDerWaalsContact C-N 3.26Å; D34-D36 VanDerWaalsContact OD1-C 3.27Å; D34-D36 WeakPolarHBondContact OD1-CA 3.45Å; D34-D36 PolarHBondContact OD1-N 3.47Å; D34-R37 PolarHBondContact OD1-N 3.13Å; D34-N38 PolarHBondContact N-O 3.15Å; D34-N38 WeakPolarHBondContact OD1-CB 3.29Å; D34-N38 PolarHBondContact OD1-N 2.96Å; D34-N38 PolarHBondContact OD1-ND2 3.14Å; D34-N38 WeakPolarHBondContact OD2-CB 3.18Å; D34-N38 PolarHBondContact OD2-ND2 2.67Å; D34-M40 HydrophobicContact CB-CE 3.96Å; D34-M40 WeakPolarHBondContact OD2-CE 3.43Å
35	R	92.6	Very high	85.1	Confident	216 Å²	216	71.2 Å²	71.2	82%	0.815	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.9	175.4	-175.8	-179.7	177.2	-173.3	-1	112.2	R37 H68	R35-R37 PolarHBondContact O-N 2.85Å; R35-H68 PolarHBondContact O-CE1 3.13Å
36	D	93.7	Very high	86.8	Confident	45 Å²	45	64.8 Å²	64.8	24%	0.241	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	13.9	-177.1	-56.9	-18.5	0	0	0	111.1	D34 N38 H64	D34-D36 VanDerWaalsContact C-N 3.26Å; D34-D36 VanDerWaalsContact OD1-C 3.27Å; D34-D36 WeakPolarHBondContact OD1-CA 3.45Å; D34-D36 PolarHBondContact OD1-N 3.47Å; D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 WeakPolarHBondContact CB-ND2 3.25Å; D36-N38 PolarHBondContact O-N 2.94Å; D36-H64 PolarHBondContact O-CE1 3.14Å; D36-H64 PolarHBondContact O-ND1 3.32Å
37	R	95.9	Very high	88.5	Confident	104 Å²	104	61.8 Å²	61.8	39%	0.392	30%	0.297	S	S	.	.	S	Bend	trans	64.9	28.2	176.1	-46.8	179.2	-173.3	-174.4	2.1	113.6	D34 R35 H64 V65 G66	D34-R37 PolarHBondContact OD1-N 3.13Å; R35-R37 PolarHBondContact O-N 2.85Å; R37-H64 PolarHBondContact O-ND1 3.21Å; R37-V65 PolarHBondContact O-N 3.01Å; R37-G66 WeakPolarHBondContact CD-O 3.29Å; R37-G66 PolarHBondContact NH1-O 3.1Å
38	N	95	Very high	89.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.011	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	152.2	173.8	-48.1	-60.5	0	0	0	111.3	S33 D34 D36 F63 H64 L145 H146	S33-N38 WeakPolarHBondContact CA-O 3.36Å; D34-N38 PolarHBondContact N-O 3.15Å; D34-N38 WeakPolarHBondContact OD1-CB 3.29Å; D34-N38 PolarHBondContact OD1-N 2.96Å; D34-N38 PolarHBondContact OD1-ND2 3.14Å; D34-N38 WeakPolarHBondContact OD2-CB 3.18Å; D34-N38 PolarHBondContact OD2-ND2 2.67Å; D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 WeakPolarHBondContact CB-ND2 3.25Å; D36-N38 PolarHBondContact O-N 2.94Å; N38-F63 CarbonylContact C-O 3.56Å; N38-F63 WeakPolarHBondContact CA-O 3.37Å; N38-H64 PolarHBondContact OD1-ND1 2.87Å; N38-L145 HydrophobicContact CB-CD1 3.77Å; N38-H146 PolarHBondContact ND2-O 3.19Å; N38-H146 PolarHBondContact OD1-N 3.32Å
39	L	95.5	Very high	90.7	Very high	4 Å²	4	60 Å²	60	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.3	161.8	-71.9	178.2	0	0	0	109.2	L31 V32 D62 F63 V65 V69 F72 F99 L109	L31-L39 HydrophobicContact CD1-CB 4.25Å; L31-L39 HydrophobicContact CD1-CD2 4.39Å; L31-L39 HydrophobicContact CG-CD2 4.46Å; V32-L39 CarbonylContact O-C 3.5Å; V32-L39 WeakPolarHBondContact O-CA 3.29Å; L39-D62 CarbonylContact O-C 3.23Å; L39-D62 WeakPolarHBondContact O-CA 3.2Å; L39-F63 PolarHBondContact N-O 3.34Å; L39-F63 PolarHBondContact O-N 3.27Å; L39-V65 HydrophobicContact CB-CG2 4.22Å; L39-V65 HydrophobicContact CD1-CG2 3.36Å; L39-V65 HydrophobicContact CG-CG2 3.45Å; L39-V65 VanDerWaalsContact CG-CG2 3.45Å; L39-V69 HydrophobicContact CD2-CB 4.42Å; L39-V69 HydrophobicContact CD2-CG2 4.37Å; L39-F72 HydrophobicContact CD2-CE1 3.84Å; L39-F72 HydrophobicContact CD2-CZ 3.71Å; L39-F99 HydrophobicContact CD1-CD1 4.13Å; L39-F99 HydrophobicContact CD1-CE1 3.78Å; L39-F99 HydrophobicContact CD1-CE2 4.4Å; L39-F99 HydrophobicContact CD1-CZ 3.92Å; L39-L109 HydrophobicContact CD1-CD1 4.09Å
40	M	93.9	Very high	90.8	Very high	16 Å²	16	62.6 Å²	62.6	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.4	179.7	-68.5	176	-87.2	0	0	110.4	L31 V32 D34 Y42 R59 A61 D62 L145	L31-M40 CarbonylContact C-O 3.46Å; L31-M40 WeakPolarHBondContact CA-O 3.47Å; V32-M40 PolarHBondContact N-O 2.89Å; V32-M40 PolarHBondContact O-N 3.02Å; D34-M40 HydrophobicContact CB-CE 3.96Å; D34-M40 WeakPolarHBondContact OD2-CE 3.43Å; M40-Y42 HydrophobicContact CB-CD2 4.28Å; M40-Y42 HydrophobicContact CB-CE2 3.73Å; M40-Y42 HydrophobicContact SD-CE2 4.35Å; M40-R59 HydrophobicContact CB-CG 4.43Å; M40-A61 CarbonylContact C-O 3.53Å; M40-A61 WeakPolarHBondContact CA-O 3.43Å; M40-D62 HydrophobicContact CG-CB 4.21Å; M40-L145 HydrophobicContact CG-CD1 4.18Å; M40-L145 HydrophobicContact SD-CD1 4.04Å
41	V	93.3	Very high	90.6	Very high	32 Å²	32	60.8 Å²	60.8	19%	0.194	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.1	174.6	-176.6	0	0	0	0	108.7	C30 L31 R59 R60 A61	C30-V41 WeakPolarHBondContact O-CA 3.48Å; L31-V41 HydrophobicContact CD1-CG2 3.79Å; V41-R59 CarbonylContact O-C 3.55Å; V41-R59 WeakPolarHBondContact O-CA 3.44Å; V41-R60 PolarHBondContact O-N 3.13Å; V41-A61 HydrophobicContact CB-CB 3.94Å; V41-A61 HydrophobicContact CG2-CB 4Å; V41-A61 PolarHBondContact N-O 3.06Å; V41-A61 PolarHBondContact O-N 2.78Å
42	Y	91.1	Very high	90.2	Very high	30 Å²	30	65.3 Å²	65.3	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.1	173	-73	-90.1	0	0	0	110.5	I4 S29 C30 V32 M40 L57 L58 R59	I4-Y42 HydrophobicContact CD1-CD2 3.98Å; I4-Y42 HydrophobicContact CD1-CG 4.02Å; S29-Y42 CarbonylContact C-O 3.57Å; S29-Y42 WeakPolarHBondContact CA-O 3.14Å; C30-Y42 PolarHBondContact N-O 3.48Å; C30-Y42 PolarHBondContact O-N 3.43Å; V32-Y42 HydrophobicContact CB-CD2 4.41Å; V32-Y42 HydrophobicContact CB-CE2 4.41Å; V32-Y42 HydrophobicContact CG2-CD2 3.78Å; V32-Y42 HydrophobicContact CG2-CE2 4.16Å; M40-Y42 HydrophobicContact CB-CD2 4.28Å; M40-Y42 HydrophobicContact CB-CE2 3.73Å; M40-Y42 HydrophobicContact SD-CE2 4.35Å; Y42-L57 HydrophobicContact CD1-CB 4.09Å; Y42-L58 CarbonylContact C-O 3.6Å; Y42-L58 WeakPolarHBondContact CA-O 3.33Å; Y42-R59 HydrophobicContact CD1-CB 4.13Å; Y42-R59 HydrophobicContact CE1-CB 3.81Å; Y42-R59 HydrophobicContact CE1-CG 4.46Å
43	M	89.6	Confident	89.6	Confident	48 Å²	48	65.8 Å²	65.8	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142	177.2	-65.2	-172.9	66.2	0	0	110.8	L45 L58 R60	M43-L45 HydrophobicContact CB-CD1 4.18Å; M43-L45 HydrophobicContact CB-CG 4.1Å; M43-L45 HydrophobicContact CE-CD2 4.46Å; M43-L58 PolarHBondContact N-O 3.15Å; M43-L58 PolarHBondContact O-N 3.08Å; M43-R60 HydrophobicContact CB-CG 3.95Å; M43-R60 HydrophobicContact CG-CB 4.14Å; M43-R60 HydrophobicContact CG-CG 3.84Å; M43-R60 HydrophobicContact SD-CB 3.95Å; M43-R60 HydrophobicContact SD-CG 3.71Å
44	Y	87.2	Confident	88.9	Confident	20 Å²	20	64.1 Å²	64.1	8%	0.078	30%	0.304	C	S	.	.			trans	-86.3	111.1	169.8	177.5	-103.5	0	0	0	109.5	V19 R21 C28 P46 G54 L57	V19-Y44 HydrophobicContact CG1-CD2 4.18Å; V19-Y44 HydrophobicContact CG1-CE1 4.48Å; V19-Y44 HydrophobicContact CG1-CE2 3.74Å; R21-Y44 VanDerWaalsContact CA-OH 3.32Å; R21-Y44 WeakPolarHBondContact CA-OH 3.22Å; R21-Y44 PolarHBondContact N-OH 3.27Å; C28-Y44 PolarHBondContact O-N 3.24Å; Y44-P46 HydrophobicContact CD1-CG 4.45Å; Y44-P46 HydrophobicContact CE1-CB 4.25Å; Y44-P46 HydrophobicContact CE1-CG 3.74Å; Y44-G54 VanDerWaalsContact CE2-O 3.22Å; Y44-G54 WeakPolarHBondContact CE2-O 3.38Å; Y44-L57 HydrophobicContact CD2-CD2 4.27Å
45	L	86.9	Confident	88.4	Confident	47 Å²	47	69.6 Å²	69.6	25%	0.246	33%	0.33	C	S	.	.			trans	-134.2	81.1	-175.9	-66.4	172.8	0	0	0	110	M43 E47 A48 S51 L58 R60	M43-L45 HydrophobicContact CB-CD1 4.18Å; M43-L45 HydrophobicContact CB-CG 4.1Å; M43-L45 HydrophobicContact CE-CD2 4.46Å; L45-E47 PolarHBondContact O-N 2.91Å; L45-A48 HydrophobicContact CB-CB 4.1Å; L45-A48 WeakPolarHBondContact O-CB 3.29Å; L45-A48 PolarHBondContact O-N 3.21Å; L45-A48 VanDerWaalsContact O-N 3.08Å; L45-S51 WeakPolarHBondContact O-CB 3.49Å; L45-S51 PolarHBondContact O-OG 3.47Å; L45-L58 HydrophobicContact CB-CD1 4.36Å; L45-R60 HydrophobicContact CD1-CG 4.45Å
46	P	85.1	Confident	88	Confident	38 Å²	38	64.8 Å²	64.8	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.8	-172.3	26.2	-34.1	0	0	0	113.6	Y44 A48 S51	Y44-P46 HydrophobicContact CD1-CG 4.45Å; Y44-P46 HydrophobicContact CE1-CB 4.25Å; Y44-P46 HydrophobicContact CE1-CG 3.74Å; P46-A48 VanDerWaalsContact C-N 3.29Å; P46-S51 PolarHBondContact O-OG 3.4Å
47	E	85.8	Confident	87.6	Confident	171 Å²	171	64.2 Å²	64.2	80%	0.799	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.2	177.1	-63.3	171.2	-167.6	0	0	112.6	L45	L45-E47 PolarHBondContact O-N 2.91Å
48	A	86.5	Confident	87.3	Confident	23 Å²	23	59.6 Å²	59.6	19%	0.19	29%	0.292	C	S	.	.	S	Bend	trans	-76	128.3	178.9	0	0	0	0	0	110.2	L45 P46 E50 S51 L58	L45-A48 HydrophobicContact CB-CB 4.1Å; L45-A48 WeakPolarHBondContact O-CB 3.29Å; L45-A48 PolarHBondContact O-N 3.21Å; L45-A48 VanDerWaalsContact O-N 3.08Å; P46-A48 VanDerWaalsContact C-N 3.29Å; A48-E50 PolarHBondContact O-N 3.25Å; A48-E50 VanDerWaalsContact O-N 3.16Å; A48-S51 VanDerWaalsContact O-CB 3.29Å; A48-S51 WeakPolarHBondContact O-CB 3.45Å; A48-S51 PolarHBondContact O-N 3.27Å; A48-S51 PolarHBondContact O-OG 3.44Å; A48-L58 HydrophobicContact CB-CD1 3.59Å
49	K	87.2	Confident	87	Confident	202 Å²	202	60.3 Å²	60.3	88%	0.878	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-54	-37.3	179.2	-65.5	-177	179.1	-179.5	0	112.7	S51 F52	K49-S51 PolarHBondContact O-N 3.35Å; K49-F52 PolarHBondContact O-N 3.21Å
50	E	86.4	Confident	86.9	Confident	130 Å²	130	64.7 Å²	64.7	61%	0.607	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.1	178.5	-61.5	174.4	-173.5	0	0	114	A48 F52 L58	A48-E50 PolarHBondContact O-N 3.25Å; A48-E50 VanDerWaalsContact O-N 3.16Å; E50-F52 VanDerWaalsContact C-N 3.26Å; E50-F52 WeakPolarHBondContact O-CD2 3.33Å; E50-F52 PolarHBondContact O-N 2.97Å; E50-L58 HydrophobicContact CB-CD1 4.09Å; E50-L58 HydrophobicContact CB-CD2 3.78Å
51	S	83.4	Confident	86.9	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-79.8	-6.6	-179.1	76.7	0	0	0	0	113.4	L45 P46 A48 K49 G53 G54 M55 R56	L45-S51 WeakPolarHBondContact O-CB 3.49Å; L45-S51 PolarHBondContact O-OG 3.47Å; P46-S51 PolarHBondContact O-OG 3.4Å; A48-S51 VanDerWaalsContact O-CB 3.29Å; A48-S51 WeakPolarHBondContact O-CB 3.45Å; A48-S51 PolarHBondContact O-N 3.27Å; A48-S51 PolarHBondContact O-OG 3.44Å; K49-S51 PolarHBondContact O-N 3.35Å; S51-G53 VanDerWaalsContact C-N 3.34Å; S51-G53 PolarHBondContact O-N 2.94Å; S51-G54 CarbonylContact O-C 3.52Å; S51-G54 PolarHBondContact O-N 3.16Å; S51-G54 PolarHBondContact OG-N 3.05Å; S51-M55 PolarHBondContact O-N 3.44Å; S51-R56 WeakPolarHBondContact CB-O 2.92Å; S51-R56 PolarHBondContact O-N 3.38Å
52	F	85.2	Confident	86.9	Confident	137 Å²	137	63.1 Å²	63.1	60%	0.601	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	50.6	-173	-61	-82.6	0	0	0	112.2	K49 E50 G54 M55 R56	K49-F52 PolarHBondContact O-N 3.21Å; E50-F52 VanDerWaalsContact C-N 3.26Å; E50-F52 WeakPolarHBondContact O-CD2 3.33Å; E50-F52 PolarHBondContact O-N 2.97Å; F52-G54 PolarHBondContact O-N 3.37Å; F52-M55 HydrophobicContact CB-CB 4.45Å; F52-M55 WeakPolarHBondContact O-CG 3.39Å; F52-M55 PolarHBondContact O-N 2.91Å; F52-R56 HydrophobicContact CD2-CB 4.29Å
53	G	81.3	Confident	87.2	Confident	35 Å²	35	62.7 Å²	62.7	36%	0.361	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	33.5	-179.1	0	0	0	0	0	113.6	R21 S51	R21-G53 WeakPolarHBondContact CG-O 3.33Å; S51-G53 VanDerWaalsContact C-N 3.34Å; S51-G53 PolarHBondContact O-N 2.94Å
54	G	80.2	Confident	87.6	Confident	4 Å²	4	61 Å²	61	4%	0.041	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-0.8	-179.6	0	0	0	0	0	115.4	Y44 S51 F52 R56	Y44-G54 VanDerWaalsContact CE2-O 3.22Å; Y44-G54 WeakPolarHBondContact CE2-O 3.38Å; S51-G54 CarbonylContact O-C 3.52Å; S51-G54 PolarHBondContact O-N 3.16Å; S51-G54 PolarHBondContact OG-N 3.05Å; F52-G54 PolarHBondContact O-N 3.37Å; G54-R56 PolarHBondContact O-N 3.1Å
55	M	81.1	Confident	88	Confident	158 Å²	158	61.1 Å²	61.1	78%	0.778	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.4	178.4	-63.2	-179.9	73	0	0	113.4	S51 F52	S51-M55 PolarHBondContact O-N 3.44Å; F52-M55 HydrophobicContact CB-CB 4.45Å; F52-M55 WeakPolarHBondContact O-CG 3.39Å; F52-M55 PolarHBondContact O-N 2.91Å
56	R	83.2	Confident	88.4	Confident	115 Å²	115	59.7 Å²	59.7	43%	0.434	29%	0.292	S	S	.	.	S	Bend	trans	-125.9	130.2	-177.5	-176.8	177.8	178.8	-178.9	0.1	111.9	S51 F52 G54	S51-R56 WeakPolarHBondContact CB-O 2.92Å; S51-R56 PolarHBondContact O-N 3.38Å; F52-R56 HydrophobicContact CD2-CB 4.29Å; G54-R56 PolarHBondContact O-N 3.1Å
57	L	86	Confident	88.9	Confident	33 Å²	33	58.3 Å²	58.3	17%	0.173	28%	0.284	C	S	.	.			trans	-73	138.5	168.4	-66.4	176.8	0	0	0	110.8	I4 Y42 Y44	I4-L57 HydrophobicContact CD1-CD1 3.61Å; I4-L57 HydrophobicContact CG1-CD1 4.12Å; Y42-L57 HydrophobicContact CD1-CB 4.09Å; Y44-L57 HydrophobicContact CD2-CD2 4.27Å
58	L	88.6	Confident	89.5	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.2	-179	-58.6	-176.9	0	0	0	110.3	Y42 M43 L45 A48 E50 R60	Y42-L58 CarbonylContact C-O 3.6Å; Y42-L58 WeakPolarHBondContact CA-O 3.33Å; M43-L58 PolarHBondContact N-O 3.15Å; M43-L58 PolarHBondContact O-N 3.08Å; L45-L58 HydrophobicContact CB-CD1 4.36Å; A48-L58 HydrophobicContact CB-CD1 3.59Å; E50-L58 HydrophobicContact CB-CD1 4.09Å; E50-L58 HydrophobicContact CB-CD2 3.78Å; L58-R60 PolarHBondContact O-N 3.36Å
59	R	90.1	Very high	90	Very high	16 Å²	16	52.3 Å²	52.3	6%	0.06	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.8	170.3	-168.6	170.2	64	-162.1	-0.5	108.3	M40 V41 Y42 A61 Q153 N154 V156	M40-R59 HydrophobicContact CB-CG 4.43Å; V41-R59 CarbonylContact O-C 3.55Å; V41-R59 WeakPolarHBondContact O-CA 3.44Å; Y42-R59 HydrophobicContact CD1-CB 4.13Å; Y42-R59 HydrophobicContact CE1-CB 3.81Å; Y42-R59 HydrophobicContact CE1-CG 4.46Å; R59-A61 WeakPolarHBondContact CG-O 3.09Å; R59-Q153 VanDerWaalsContact CB-NE2 3.26Å; R59-Q153 PolarHBondContact NH2-O 3.2Å; R59-N154 PolarHBondContact NH2-O 3.1Å; R59-V156 HydrophobicContact CB-CG2 4.49Å; R59-V156 HydrophobicContact CG-CG2 4.46Å
60	R	91.9	Very high	90.3	Very high	97 Å²	97	48.5 Å²	48.5	37%	0.366	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-16.9	180	-70.5	-63.2	-171.6	-174.4	-3.7	113.4	V41 M43 L45 L58 V156 N158	V41-R60 PolarHBondContact O-N 3.13Å; M43-R60 HydrophobicContact CB-CG 3.95Å; M43-R60 HydrophobicContact CG-CB 4.14Å; M43-R60 HydrophobicContact CG-CG 3.84Å; M43-R60 HydrophobicContact SD-CB 3.95Å; M43-R60 HydrophobicContact SD-CG 3.71Å; L45-R60 HydrophobicContact CD1-CG 4.45Å; L58-R60 PolarHBondContact O-N 3.36Å; R60-V156 WeakPolarHBondContact O-CG1 3.13Å; R60-N158 PolarHBondContact O-ND2 3.47Å
61	A	94.1	Very high	90.8	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.4	169.6	0	0	0	0	0	111.2	M40 V41 R59 R157 N158 V159	M40-A61 CarbonylContact C-O 3.53Å; M40-A61 WeakPolarHBondContact CA-O 3.43Å; V41-A61 HydrophobicContact CB-CB 3.94Å; V41-A61 HydrophobicContact CG2-CB 4Å; V41-A61 PolarHBondContact N-O 3.06Å; V41-A61 PolarHBondContact O-N 2.78Å; R59-A61 WeakPolarHBondContact CG-O 3.09Å; A61-R157 WeakPolarHBondContact CA-O 3.33Å; A61-N158 HydrophobicContact CB-CB 4.07Å; A61-V159 HydrophobicContact CB-CG2 3.88Å
62	D	94.8	Very high	91.5	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142	174.8	47.6	122.3	0	0	0	109.7	L39 M40 L145 A155 V156 R157	L39-D62 CarbonylContact O-C 3.23Å; L39-D62 WeakPolarHBondContact O-CA 3.2Å; M40-D62 HydrophobicContact CG-CB 4.21Å; D62-L145 HydrophobicContact CB-CB 4.27Å; D62-L145 HydrophobicContact CB-CD1 4.01Å; D62-L145 WeakPolarHBondContact OD1-CB 3.43Å; D62-A155 WeakPolarHBondContact OD1-CA 3.46Å; D62-A155 VanDerWaalsContact OD1-CB 3.27Å; D62-A155 WeakPolarHBondContact OD1-CB 3.41Å; D62-V156 PolarHBondContact OD1-N 2.81Å; D62-V156 VanDerWaalsContact OD2-CA 3.26Å; D62-V156 WeakPolarHBondContact OD2-CA 3.19Å; D62-V156 VanDerWaalsContact OD2-CB 3.27Å; D62-V156 WeakPolarHBondContact OD2-CB 3.36Å; D62-V156 PolarHBondContact OD2-N 2.93Å; D62-R157 PolarHBondContact OD2-N 2.87Å
63	F	96.5	Very high	92	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.088	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	131	-176.5	-173.6	-101.4	0	0	0	110.9	N38 L39 V65 R143 V159 D161	N38-F63 CarbonylContact C-O 3.56Å; N38-F63 WeakPolarHBondContact CA-O 3.37Å; L39-F63 PolarHBondContact N-O 3.34Å; L39-F63 PolarHBondContact O-N 3.27Å; F63-V65 HydrophobicContact CD1-CG2 4.03Å; F63-V65 HydrophobicContact CE1-CG2 4.39Å; F63-R143 HydrophobicContact CD2-CB 4.29Å; F63-R143 HydrophobicContact CE2-CB 4Å; F63-R143 HydrophobicContact CE2-CG 3.8Å; F63-R143 HydrophobicContact CZ-CG 4.08Å; F63-V159 HydrophobicContact CB-CB 3.81Å; F63-V159 HydrophobicContact CB-CG1 4.02Å; F63-V159 HydrophobicContact CB-CG2 3.88Å; F63-V159 HydrophobicContact CD1-CG1 4.41Å; F63-V159 HydrophobicContact CD2-CB 3.66Å; F63-V159 HydrophobicContact CD2-CG1 3.58Å; F63-V159 HydrophobicContact CE2-CB 4.47Å; F63-V159 HydrophobicContact CE2-CG1 4.04Å; F63-V159 HydrophobicContact CG-CB 3.95Å; F63-V159 HydrophobicContact CG-CG1 3.76Å; F63-D161 HydrophobicContact CE2-CB 4.41Å
64	H	97.1	Very high	92.6	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.4	173	-173.2	76.9	0	0	0	110.9	D36 R37 N38 F142 R143 M144 H146	D36-H64 PolarHBondContact O-CE1 3.14Å; D36-H64 PolarHBondContact O-ND1 3.32Å; R37-H64 PolarHBondContact O-ND1 3.21Å; N38-H64 PolarHBondContact OD1-ND1 2.87Å; H64-F142 WeakPolarHBondContact CB-O 3.43Å; H64-F142 AromaticContact CD2-CE2 4Å; H64-F142 PolarHBondContact CD2-O 3.39Å; H64-R143 PolarHBondContact N-O 3.37Å; H64-R143 WeakPolarHBondContact O-CD 3.12Å; H64-R143 PolarHBondContact O-NH1 2.88Å; H64-M144 WeakPolarHBondContact CB-O 3.35Å; H64-H146 AromaticContact CE1-ND1 3.5Å; H64-H146 PolarHBondContact CE1-ND1 3.36Å; H64-H146 AromaticContact ND1-ND1 3.79Å; H64-H146 AromaticContact NE2-CE1 3.94Å; H64-H146 AromaticContact NE2-ND1 3.72Å
65	V	95.8	Very high	93.2	Very high	23 Å²	23	54 Å²	54	14%	0.139	25%	0.254	C	S	.	.			trans	-79.7	-35.7	-178.2	178.3	0	0	0	0	110.9	R37 L39 F63 A67 V69 F99 T101 R143	R37-V65 PolarHBondContact O-N 3.01Å; L39-V65 HydrophobicContact CB-CG2 4.22Å; L39-V65 HydrophobicContact CD1-CG2 3.36Å; L39-V65 HydrophobicContact CG-CG2 3.45Å; L39-V65 VanDerWaalsContact CG-CG2 3.45Å; F63-V65 HydrophobicContact CD1-CG2 4.03Å; F63-V65 HydrophobicContact CE1-CG2 4.39Å; V65-A67 HydrophobicContact CG1-CB 4.48Å; V65-V69 HydrophobicContact CG1-CG2 4.46Å; V65-F99 HydrophobicContact CG1-CE2 4.04Å; V65-T101 HydrophobicContact CG1-CG2 4.34Å; V65-R143 PolarHBondContact O-NH1 2.77Å; V65-R143 VanDerWaalsContact O-NH1 3.08Å
66	G	95.5	Very high	93.7	Very high	17 Å²	17	50.4 Å²	50.4	18%	0.175	24%	0.242	C	C	.	.	S	Bend	trans	93.9	-8.2	-173.6	0	0	0	0	0	114.3	R37	R37-G66 WeakPolarHBondContact CD-O 3.29Å; R37-G66 PolarHBondContact NH1-O 3.1Å
67	A	96.7	Very high	93.8	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	23%	0.225	C	C	.	.	S	Bend	trans	-137	154.4	-179.8	0	0	0	0	0	111.2	V65 T101 D103	V65-A67 HydrophobicContact CG1-CB 4.48Å; A67-T101 HydrophobicContact CB-CG2 3.82Å; A67-D103 HydrophobicContact CB-CB 4.37Å; A67-D103 WeakPolarHBondContact CB-OD2 3.3Å
68	H	97.2	Very high	93.2	Very high	57 Å²	57	49.4 Å²	49.4	26%	0.264	24%	0.238	S	C	.	.			trans	-72.8	135.4	174.4	-68.7	-79.3	0	0	0	110.6	R35 T101 L102	R35-H68 PolarHBondContact O-CE1 3.13Å; H68-T101 CarbonylContact O-C 3.59Å; H68-T101 WeakPolarHBondContact O-CA 3.39Å; H68-L102 HydrophobicContact CB-CB 4.21Å; H68-L102 HydrophobicContact CB-CD1 3.69Å; H68-L102 HydrophobicContact CB-CG 3.94Å; H68-L102 PolarHBondContact O-N 3.22Å
69	V	97.2	Very high	91.8	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.6	179.3	176.7	0	0	0	0	109.5	S33 L39 V65 F72 F99 T101	S33-V69 WeakPolarHBondContact CB-O 3.43Å; S33-V69 PolarHBondContact OG-O 3.01Å; L39-V69 HydrophobicContact CD2-CB 4.42Å; L39-V69 HydrophobicContact CD2-CG2 4.37Å; V65-V69 HydrophobicContact CG1-CG2 4.46Å; V69-F72 HydrophobicContact CB-CZ 4.22Å; V69-F72 HydrophobicContact CG1-CD1 4.28Å; V69-F72 HydrophobicContact CG1-CE1 3.56Å; V69-F72 HydrophobicContact CG1-CE2 3.86Å; V69-F72 HydrophobicContact CG1-CZ 3.34Å; V69-F99 HydrophobicContact CG1-CB 3.61Å; V69-F99 HydrophobicContact CG1-CD2 4.09Å; V69-F99 HydrophobicContact CG1-CG 4.12Å; V69-F99 HydrophobicContact CG2-CD2 3.69Å; V69-F99 HydrophobicContact CG2-CE2 4.13Å; V69-F99 HydrophobicContact CG2-CG 4.43Å; V69-T101 HydrophobicContact CG2-CG2 4.16Å
70	N	95	Very high	89.9	Confident	122 Å²	122	52.3 Å²	52.3	65%	0.652	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	-15.5	-177.4	-163.2	38.2	0	0	0	113.8	L102	N70-L102 HydrophobicContact CB-CD2 3.88Å; N70-L102 HydrophobicContact CB-CG 4.43Å
71	T	96.4	Very high	87.7	Confident	74 Å²	74	53.7 Å²	53.7	45%	0.454	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.8	-176.8	-52.7	0	0	0	0	109.9	W73 F99 A100	T71-W73 HydrophobicContact CG2-CE3 4.21Å; T71-W73 HydrophobicContact CG2-CZ3 4.43Å; T71-F99 WeakPolarHBondContact O-CA 3.18Å; T71-F99 WeakPolarHBondContact O-CB 3.39Å; T71-A100 PolarHBondContact O-N 3.39Å
72	F	96.8	Very high	85.6	Confident	72 Å²	72	59.5 Å²	59.5	32%	0.316	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.8	174.7	-63.2	-82.4	0	0	0	109.6	L31 L39 V69 T97 W98 F99	L31-F72 HydrophobicContact CD2-CD1 3.64Å; L31-F72 HydrophobicContact CD2-CE1 3.37Å; L31-F72 HydrophobicContact CD2-CZ 4.24Å; L31-F72 HydrophobicContact CG-CE1 3.99Å; L31-F72 HydrophobicContact CG-CZ 4.4Å; L39-F72 HydrophobicContact CD2-CE1 3.84Å; L39-F72 HydrophobicContact CD2-CZ 3.71Å; V69-F72 HydrophobicContact CB-CZ 4.22Å; V69-F72 HydrophobicContact CG1-CD1 4.28Å; V69-F72 HydrophobicContact CG1-CE1 3.56Å; V69-F72 HydrophobicContact CG1-CE2 3.86Å; V69-F72 HydrophobicContact CG1-CZ 3.34Å; F72-T97 HydrophobicContact CD1-CG2 4.22Å; F72-W98 VanDerWaalsContact CA-O 3.29Å; F72-W98 WeakPolarHBondContact CA-O 3.48Å; F72-F99 HydrophobicContact CD1-CB 3.61Å; F72-F99 HydrophobicContact CE1-CB 3.73Å; F72-F99 HydrophobicContact CE1-CG 4.39Å
73	W	96	Very high	83.6	Confident	76 Å²	76	61.7 Å²	61.7	29%	0.288	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.2	168.5	66.1	101.3	0	0	0	110.2	T71 W98 A100 I106 F204	T71-W73 HydrophobicContact CG2-CE3 4.21Å; T71-W73 HydrophobicContact CG2-CZ3 4.43Å; W73-W98 AromaticContact CD1-CD1 3.9Å; W73-W98 HydrophobicContact CD2-CB 3.5Å; W73-W98 HydrophobicContact CD2-CG 4.41Å; W73-W98 AromaticContact CE2-CG 3.71Å; W73-W98 HydrophobicContact CE3-CB 4.07Å; W73-W98 HydrophobicContact CG-CB 3.96Å; W73-W98 HydrophobicContact CH2-CB 3.97Å; W73-W98 HydrophobicContact CZ2-CB 3.4Å; W73-W98 HydrophobicContact CZ2-CD2 4.39Å; W73-W98 HydrophobicContact CZ2-CE3 4.42Å; W73-W98 HydrophobicContact CZ2-CG 4.01Å; W73-W98 HydrophobicContact CZ3-CB 4.28Å; W73-W98 PolarHBondContact N-O 2.81Å; W73-W98 VanDerWaalsContact NE1-CB 3.34Å; W73-W98 AromaticContact NE1-CD1 3.63Å; W73-W98 AromaticContact NE1-CG 3.43Å; W73-W98 PolarHBondContact O-N 2.77Å; W73-A100 HydrophobicContact CH2-CB 4.23Å; W73-A100 HydrophobicContact CZ3-CB 3.9Å; W73-I106 HydrophobicContact CH2-CG2 3.96Å; W73-I106 HydrophobicContact CZ2-CG2 4.18Å; W73-F204 AromaticContact NE1-CE2 3.92Å
74	R	94.5	Very high	81.4	Confident	182 Å²	182	69.5 Å²	69.5	69%	0.687	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	139	-176.7	-65	-175.9	-61.8	176.2	2.5	111.1	H95 I96 T97	R74-H95 HydrophobicContact CB-CB 4.48Å; R74-I96 VanDerWaalsContact CA-O 3.24Å; R74-I96 WeakPolarHBondContact CA-O 3.28Å; R74-T97 HydrophobicContact CG-CG2 4.29Å
75	T	93.3	Very high	79.6	Confident	18 Å²	18	71.7 Å²	71.7	11%	0.11	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.9	168.2	63.4	0	0	0	0	109.2	H95 I96 W98 H203 F204	T75-H95 CarbonylContact O-C 3.57Å; T75-H95 VanDerWaalsContact O-CA 3.28Å; T75-H95 WeakPolarHBondContact O-CA 3.44Å; T75-I96 PolarHBondContact N-O 3.03Å; T75-I96 VanDerWaalsContact N-O 3.1Å; T75-I96 PolarHBondContact O-N 3.14Å; T75-W98 PolarHBondContact OG1-NE1 3.33Å; T75-H203 PolarHBondContact OG1-NE2 3.29Å; T75-F204 HydrophobicContact CG2-CZ 4.39Å
76	P	90.8	Very high	77.8	Confident	81 Å²	81	80.2 Å²	80.2	53%	0.526	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143	170.5	28.6	-34	0	0	0	109.5	R78 H203	P76-R78 PolarHBondContact O-N 2.96Å; P76-H203 PolarHBondContact O-CE1 3.48Å; P76-H203 PolarHBondContact O-NE2 3.16Å
77	C	85.9	Confident	76	Confident	11 Å²	11	84.2 Å²	84.2	7%	0.074	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.4	133.5	177.2	-71	0	0	0	0	111.5	G79 W91 K94 V200	C77-G79 PolarHBondContact O-N 2.88Å; C77-W91 HydrophobicContact CB-CB 4.05Å; C77-K94 PolarHBondContact N-O 3.16Å; C77-K94 PolarHBondContact SG-O 3.26Å; C77-V200 HydrophobicContact CB-CG1 3.47Å; C77-V200 VanDerWaalsContact CB-CG1 3.47Å
78	R	73.1	Confident	74.3	Confident	117 Å²	117	84.3 Å²	84.3	44%	0.442	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	130	169.5	-69.1	-162.2	177.7	-171.3	6.4	109.1	P76 V200 A202 H203	P76-R78 PolarHBondContact O-N 2.96Å; R78-V200 PolarHBondContact N-O 3.45Å; R78-V200 VanDerWaalsContact N-O 3.16Å; R78-V200 WeakPolarHBondContact O-CG2 3.32Å; R78-A202 WeakPolarHBondContact CD-O 3.42Å; R78-A202 PolarHBondContact NE-O 2.67Å; R78-A202 PolarHBondContact NH1-O 3Å; R78-A202 PolarHBondContact NH2-O 2.86Å; R78-H203 PolarHBondContact NH2-O 3.23Å
79	G	59.4	Low	72.8	Confident	2 Å²	2	85.7 Å²	85.7	2%	0.021	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	153.4	-30.2	-173.7	0	0	0	0	0	112.7	C77 T81 S88	C77-G79 PolarHBondContact O-N 2.88Å; G79-T81 PolarHBondContact O-N 3.27Å; G79-S88 WeakPolarHBondContact O-CB 3.39Å
80	A	49.2	Very low	71.7	Confident	82 Å²	82	87.5 Å²	87.5	68%	0.678	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.6	173.5	0	0	0	0	0	113.4
81	T	47.1	Very low	71	Confident	125 Å²	125	82.7 Å²	82.7	77%	0.767	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.9	-170.6	44.4	0	0	0	0	114.7	G79	G79-T81 PolarHBondContact O-N 3.27Å
82	E	50.3	Low	70.1	Confident	132 Å²	132	84.7 Å²	84.7	62%	0.617	44%	0.441	S	S	*	.	S	Bend	trans	-105.7	62	-179.2	-68.4	-176.3	167.8	0	0	111.3	R199	E82-R199 IonicContact OE2-NH1 3.16Å; E82-R199 PolarHBondContact OE2-NH1 3.03Å
83	G	52.1	Low	69.4	Low	52 Å²	52	88.3 Å²	88.3	54%	0.536	46%	0.464	S	S	.	.			trans	66.4	168.2	170	0	0	0	0	0	117.3	S85 S88	G83-S85 VanDerWaalsContact C-N 3.26Å; G83-S85 PolarHBondContact O-N 2.95Å; G83-S88 PolarHBondContact O-OG 3.42Å
84	L	50.8	Low	69.1	Low	184 Å²	184	86.9 Å²	86.9	96%	0.963	46%	0.46	S	S	*	.	S	Bend	trans	-77.6	67.3	178.5	-77.4	142.4	0	0	0	111.2
85	S	58.8	Low	68.9	Low	57 Å²	57	82.3 Å²	82.3	40%	0.399	45%	0.446	S	S	.	.			trans	-91.5	149.6	164.2	85.8	0	0	0	0	110.2	G83 K87 S88	G83-S85 VanDerWaalsContact C-N 3.26Å; G83-S85 PolarHBondContact O-N 2.95Å; S85-K87 PolarHBondContact O-N 2.95Å; S85-K87 PolarHBondContact OG-N 3.4Å; S85-S88 PolarHBondContact O-N 3.21Å; S85-S88 PolarHBondContact O-OG 3.04Å; S85-S88 PolarHBondContact OG-N 2.82Å
86	K	58.1	Low	68.9	Low	202 Å²	202	81.4 Å²	81.4	88%	0.878	44%	0.441	S	S	*	.	H	α-helix	trans	-55.6	-22.6	174.9	-73.9	-179.7	178.2	176	0	113.2
87	K	57.8	Low	69.2	Low	102 Å²	102	79 Å²	79	44%	0.443	43%	0.425	S	S	.	.	H	α-helix	trans	-76.9	-28.4	177.1	-68	-172	175.4	-172.9	0	112.3	S85 V90 D192	S85-K87 PolarHBondContact O-N 2.95Å; S85-K87 PolarHBondContact OG-N 3.4Å; K87-V90 PolarHBondContact O-N 3.23Å; K87-D192 IonicContact NZ-OD2 3.54Å; K87-D192 PolarHBondContact NZ-OD2 2.82Å
88	S	60.3	Low	69.7	Low	12 Å²	12	79.7 Å²	79.7	8%	0.084	43%	0.426	C	S	.	.	H	α-helix	trans	-70.2	-37.4	178.1	62.2	0	0	0	0	113.2	G79 G83 S85 V90 W91 E92	G79-S88 WeakPolarHBondContact O-CB 3.39Å; G83-S88 PolarHBondContact O-OG 3.42Å; S85-S88 PolarHBondContact O-N 3.21Å; S85-S88 PolarHBondContact O-OG 3.04Å; S85-S88 PolarHBondContact OG-N 2.82Å; S88-V90 PolarHBondContact O-N 3.05Å; S88-W91 PolarHBondContact O-N 3.08Å; S88-W91 VanDerWaalsContact O-N 3.13Å; S88-E92 PolarHBondContact O-N 2.88Å
89	V	65.6	Low	70.8	Confident	85 Å²	85	74.8 Å²	74.8	52%	0.515	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-30.3	177.9	-176.6	0	0	0	0	112	W91 E92	V89-W91 PolarHBondContact O-N 3.48Å; V89-E92 WeakPolarHBondContact O-CB 3.35Å; V89-E92 PolarHBondContact O-N 2.86Å
90	V	74.4	Confident	72.6	Confident	49 Å²	49	76 Å²	76	30%	0.297	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.1	179.9	167.9	0	0	0	0	112.7	K87 S88 K94 Q113	K87-V90 PolarHBondContact O-N 3.23Å; S88-V90 PolarHBondContact O-N 3.05Å; V90-K94 WeakPolarHBondContact O-CE 3.24Å; V90-K94 PolarHBondContact O-NZ 3.34Å; V90-Q113 HydrophobicContact CG1-CG 4.24Å; V90-Q113 VanDerWaalsContact CG1-NE2 3.3Å
91	W	80.4	Confident	74.9	Confident	21 Å²	21	73.1 Å²	73.1	8%	0.08	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	0.8	-178	-59.3	108.5	0	0	0	113.3	C77 S88 V89 N93 K94 L110 P111 E196 V200	C77-W91 HydrophobicContact CB-CB 4.05Å; S88-W91 PolarHBondContact O-N 3.08Å; S88-W91 VanDerWaalsContact O-N 3.13Å; V89-W91 PolarHBondContact O-N 3.48Å; W91-N93 PolarHBondContact O-N 3.07Å; W91-K94 HydrophobicContact CE3-CD 3.76Å; W91-K94 HydrophobicContact CZ3-CD 4.24Å; W91-K94 WeakPolarHBondContact O-CB 3.33Å; W91-K94 PolarHBondContact O-N 3.16Å; W91-L110 HydrophobicContact CE3-CD1 4.26Å; W91-L110 HydrophobicContact CH2-CD1 4.39Å; W91-L110 HydrophobicContact CH2-CD2 3.82Å; W91-L110 HydrophobicContact CH2-CG 4.14Å; W91-L110 HydrophobicContact CZ3-CD1 3.71Å; W91-L110 HydrophobicContact CZ3-CD2 3.98Å; W91-L110 HydrophobicContact CZ3-CG 3.81Å; W91-P111 VanDerWaalsContact CZ3-O 3.3Å; W91-P111 WeakPolarHBondContact CZ3-O 3.46Å; W91-E196 HydrophobicContact CZ2-CG 4.18Å; W91-E196 PolarHBondContact NE1-OE1 2.9Å; W91-V200 HydrophobicContact CD2-CG1 4.19Å; W91-V200 HydrophobicContact CD2-CG2 4.02Å; W91-V200 HydrophobicContact CE3-CG1 4.22Å; W91-V200 HydrophobicContact CG-CG1 4.44Å; W91-V200 HydrophobicContact CG-CG2 4.05Å; W91-V200 HydrophobicContact CZ2-CG2 4.36Å
92	E	77.7	Confident	77.3	Confident	117 Å²	117	72.6 Å²	72.6	55%	0.547	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	137.1	177.5	-166.9	175	-172.2	0	0	111.3	S88 V89 K94	S88-E92 PolarHBondContact O-N 2.88Å; V89-E92 WeakPolarHBondContact O-CB 3.35Å; V89-E92 PolarHBondContact O-N 2.86Å; E92-K94 PolarHBondContact O-N 3.34Å
93	N	82.3	Confident	79.5	Confident	148 Å²	148	71.6 Å²	71.6	79%	0.791	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	11.2	-177.2	-64.3	-44.8	0	0	0	115.9	W91	W91-N93 PolarHBondContact O-N 3.07Å
94	K	88.4	Confident	81.6	Confident	45 Å²	45	72.8 Å²	72.8	20%	0.196	39%	0.394	C	S	.	.			trans	-91.9	139.3	173.5	-64.8	-174.6	-175.7	165.7	0	111.1	C77 V90 W91 E92 P111	C77-K94 PolarHBondContact N-O 3.16Å; C77-K94 PolarHBondContact SG-O 3.26Å; V90-K94 WeakPolarHBondContact O-CE 3.24Å; V90-K94 PolarHBondContact O-NZ 3.34Å; W91-K94 HydrophobicContact CE3-CD 3.76Å; W91-K94 HydrophobicContact CZ3-CD 4.24Å; W91-K94 WeakPolarHBondContact O-CB 3.33Å; W91-K94 PolarHBondContact O-N 3.16Å; E92-K94 PolarHBondContact O-N 3.34Å; K94-P111 HydrophobicContact CB-CG 4.14Å; K94-P111 HydrophobicContact CD-CG 4.33Å; K94-P111 HydrophobicContact CG-CG 4.44Å
95	H	91.1	Very high	83.7	Confident	86 Å²	86	65.4 Å²	65.4	40%	0.398	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.1	175.9	-71.2	68.4	0	0	0	109.7	R74 T75 P111	R74-H95 HydrophobicContact CB-CB 4.48Å; T75-H95 CarbonylContact O-C 3.57Å; T75-H95 VanDerWaalsContact O-CA 3.28Å; T75-H95 WeakPolarHBondContact O-CA 3.44Å; H95-P111 WeakPolarHBondContact O-CD 3.39Å; H95-P111 WeakPolarHBondContact O-CG 3.25Å
96	I	94	Very high	85.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.6	167.5	-58.3	164.2	0	0	0	106.7	R74 T75 W98 L108 L110 V200 T201	R74-I96 VanDerWaalsContact CA-O 3.24Å; R74-I96 WeakPolarHBondContact CA-O 3.28Å; T75-I96 PolarHBondContact N-O 3.03Å; T75-I96 VanDerWaalsContact N-O 3.1Å; T75-I96 PolarHBondContact O-N 3.14Å; I96-W98 HydrophobicContact CG2-CD2 4.24Å; I96-W98 HydrophobicContact CG2-CG 4.25Å; I96-W98 HydrophobicContact CG2-CZ2 4.28Å; I96-L108 HydrophobicContact CG2-CB 3.87Å; I96-L108 HydrophobicContact CG2-CD1 4.42Å; I96-L110 HydrophobicContact CD1-CD1 4.43Å; I96-L110 HydrophobicContact CG1-CD1 3.75Å; I96-V200 WeakPolarHBondContact CD1-O 3.47Å; I96-T201 HydrophobicContact CD1-CG2 3.88Å; I96-T201 HydrophobicContact CG1-CG2 4.47Å
97	T	95.7	Very high	87.3	Confident	31 Å²	31	59.7 Å²	59.7	19%	0.19	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.3	170.1	-49.1	0	0	0	0	108.3	L31 F72 R74 L108 L109	L31-T97 HydrophobicContact CD2-CG2 3.69Å; F72-T97 HydrophobicContact CD1-CG2 4.22Å; R74-T97 HydrophobicContact CG-CG2 4.29Å; T97-L108 CarbonylContact O-C 3.46Å; T97-L108 WeakPolarHBondContact O-CA 3.29Å; T97-L109 PolarHBondContact N-O 2.82Å; T97-L109 PolarHBondContact O-N 3Å
98	W	96.8	Very high	89.1	Confident	25 Å²	25	57.8 Å²	57.8	10%	0.095	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	154.7	174.3	-62.6	87.5	0	0	0	110.3	F72 W73 T75 I96 I106 G107 L108 T201 H203 F204	F72-W98 VanDerWaalsContact CA-O 3.29Å; F72-W98 WeakPolarHBondContact CA-O 3.48Å; W73-W98 AromaticContact CD1-CD1 3.9Å; W73-W98 HydrophobicContact CD2-CB 3.5Å; W73-W98 HydrophobicContact CD2-CG 4.41Å; W73-W98 AromaticContact CE2-CG 3.71Å; W73-W98 HydrophobicContact CE3-CB 4.07Å; W73-W98 HydrophobicContact CG-CB 3.96Å; W73-W98 HydrophobicContact CH2-CB 3.97Å; W73-W98 HydrophobicContact CZ2-CB 3.4Å; W73-W98 HydrophobicContact CZ2-CD2 4.39Å; W73-W98 HydrophobicContact CZ2-CE3 4.42Å; W73-W98 HydrophobicContact CZ2-CG 4.01Å; W73-W98 HydrophobicContact CZ3-CB 4.28Å; W73-W98 PolarHBondContact N-O 2.81Å; W73-W98 VanDerWaalsContact NE1-CB 3.34Å; W73-W98 AromaticContact NE1-CD1 3.63Å; W73-W98 AromaticContact NE1-CG 3.43Å; W73-W98 PolarHBondContact O-N 2.77Å; T75-W98 PolarHBondContact OG1-NE1 3.33Å; I96-W98 HydrophobicContact CG2-CD2 4.24Å; I96-W98 HydrophobicContact CG2-CG 4.25Å; I96-W98 HydrophobicContact CG2-CZ2 4.28Å; W98-I106 HydrophobicContact CE3-CG2 4.02Å; W98-I106 HydrophobicContact CZ3-CG2 4.42Å; W98-G107 WeakPolarHBondContact CA-O 3.44Å; W98-L108 HydrophobicContact CD2-CB 4.1Å; W98-L108 HydrophobicContact CE3-CB 3.84Å; W98-L108 HydrophobicContact CE3-CD2 4.28Å; W98-L108 HydrophobicContact CH2-CD2 3.61Å; W98-L108 HydrophobicContact CZ2-CD2 4.21Å; W98-L108 HydrophobicContact CZ3-CB 4.09Å; W98-L108 HydrophobicContact CZ3-CD2 3.66Å; W98-L108 HydrophobicContact CZ3-CG 4.5Å; W98-T201 WeakPolarHBondContact CH2-O 3.38Å; W98-T201 WeakPolarHBondContact CZ2-O 3.42Å; W98-H203 HydrophobicContact CZ2-CB 4.1Å; W98-F204 HydrophobicContact CD2-CE2 4.43Å; W98-F204 HydrophobicContact CH2-CD2 4.43Å; W98-F204 HydrophobicContact CZ2-CD2 4.39Å; W98-F204 HydrophobicContact CZ2-CE2 4.34Å
99	F	97.4	Very high	90.8	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.057	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.8	174.8	59.6	-94.2	0	0	0	112.3	L39 V65 V69 T71 F72 T101 I106 G107 L109	L39-F99 HydrophobicContact CD1-CD1 4.13Å; L39-F99 HydrophobicContact CD1-CE1 3.78Å; L39-F99 HydrophobicContact CD1-CE2 4.4Å; L39-F99 HydrophobicContact CD1-CZ 3.92Å; V65-F99 HydrophobicContact CG1-CE2 4.04Å; V69-F99 HydrophobicContact CG1-CB 3.61Å; V69-F99 HydrophobicContact CG1-CD2 4.09Å; V69-F99 HydrophobicContact CG1-CG 4.12Å; V69-F99 HydrophobicContact CG2-CD2 3.69Å; V69-F99 HydrophobicContact CG2-CE2 4.13Å; V69-F99 HydrophobicContact CG2-CG 4.43Å; T71-F99 WeakPolarHBondContact O-CA 3.18Å; T71-F99 WeakPolarHBondContact O-CB 3.39Å; F72-F99 HydrophobicContact CD1-CB 3.61Å; F72-F99 HydrophobicContact CE1-CB 3.73Å; F72-F99 HydrophobicContact CE1-CG 4.39Å; F99-T101 HydrophobicContact CD2-CG2 4.24Å; F99-T101 HydrophobicContact CE2-CG2 4.2Å; F99-I106 WeakPolarHBondContact O-CA 3.26Å; F99-G107 VanDerWaalsContact CE1-C 3.48Å; F99-G107 PolarHBondContact N-O 3.35Å; F99-G107 PolarHBondContact O-N 2.65Å; F99-L109 HydrophobicContact CE1-CG 4.12Å
100	A	97.3	Very high	92.2	Very high	29 Å²	29	56.4 Å²	56.4	24%	0.24	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.4	173.2	0	0	0	0	0	109.8	T71 W73 G105	T71-A100 PolarHBondContact O-N 3.39Å; W73-A100 HydrophobicContact CH2-CB 4.23Å; W73-A100 HydrophobicContact CZ3-CB 3.9Å; A100-G105 WeakPolarHBondContact CA-O 3.27Å
101	T	97.4	Very high	93	Very high	21 Å²	21	56.8 Å²	56.8	13%	0.129	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	154.4	178.3	72.8	0	0	0	0	110.8	V65 A67 H68 V69 F99 D103 G104 G105	V65-T101 HydrophobicContact CG1-CG2 4.34Å; A67-T101 HydrophobicContact CB-CG2 3.82Å; H68-T101 CarbonylContact O-C 3.59Å; H68-T101 WeakPolarHBondContact O-CA 3.39Å; V69-T101 HydrophobicContact CG2-CG2 4.16Å; F99-T101 HydrophobicContact CD2-CG2 4.24Å; F99-T101 HydrophobicContact CE2-CG2 4.2Å; T101-D103 PolarHBondContact O-N 3Å; T101-G104 PolarHBondContact O-N 3.43Å; T101-G105 PolarHBondContact N-O 2.8Å; T101-G105 WeakPolarHBondContact OG1-CA 3.48Å; T101-G105 PolarHBondContact OG1-N 3.1Å; T101-G105 PolarHBondContact OG1-O 3.03Å
102	L	96.8	Very high	93.6	Very high	114 Å²	114	58.3 Å²	58.3	60%	0.597	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.6	175.1	-63.8	-173.9	0	0	0	113.1	H68 N70 G104	H68-L102 HydrophobicContact CB-CB 4.21Å; H68-L102 HydrophobicContact CB-CD1 3.69Å; H68-L102 HydrophobicContact CB-CG 3.94Å; H68-L102 PolarHBondContact O-N 3.22Å; N70-L102 HydrophobicContact CB-CD2 3.88Å; N70-L102 HydrophobicContact CB-CG 4.43Å; L102-G104 PolarHBondContact O-N 3.18Å
103	D	96.3	Very high	94.2	Very high	111 Å²	111	56.8 Å²	56.8	59%	0.594	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	10.9	175.4	-58.2	-33	0	0	0	112.1	A67 T101	A67-D103 HydrophobicContact CB-CB 4.37Å; A67-D103 WeakPolarHBondContact CB-OD2 3.3Å; T101-D103 PolarHBondContact O-N 3Å
104	G	95.4	Very high	94.7	Very high	76 Å²	76	55.5 Å²	55.5	78%	0.784	32%	0.317	S	S	*	.	S	Bend	trans	84.6	9.3	175.7	0	0	0	0	0	115.3	T101 L102	T101-G104 PolarHBondContact O-N 3.43Å; L102-G104 PolarHBondContact O-N 3.18Å
105	G	95.3	Very high	94.9	Very high	30 Å²	30	60.9 Å²	60.9	31%	0.309	34%	0.341	S	S	.	.			trans	-93.3	160.7	178.2	0	0	0	0	0	113.4	A100 T101	A100-G105 WeakPolarHBondContact CA-O 3.27Å; T101-G105 PolarHBondContact N-O 2.8Å; T101-G105 WeakPolarHBondContact OG1-CA 3.48Å; T101-G105 PolarHBondContact OG1-N 3.1Å; T101-G105 PolarHBondContact OG1-O 3.03Å
106	I	96.6	Very high	95	Very high	121 Å²	121	57.9 Å²	57.9	62%	0.621	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.7	171.1	-61.5	173.2	0	0	0	108	W73 W98 F99	W73-I106 HydrophobicContact CH2-CG2 3.96Å; W73-I106 HydrophobicContact CZ2-CG2 4.18Å; W98-I106 HydrophobicContact CE3-CG2 4.02Å; W98-I106 HydrophobicContact CZ3-CG2 4.42Å; F99-I106 WeakPolarHBondContact O-CA 3.26Å
107	G	95.9	Very high	95.1	Very high	18 Å²	18	59.7 Å²	59.7	19%	0.186	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	171.6	174.3	0	0	0	0	0	111.9	W98 F99	W98-G107 WeakPolarHBondContact CA-O 3.44Å; F99-G107 VanDerWaalsContact CE1-C 3.48Å; F99-G107 PolarHBondContact N-O 3.35Å; F99-G107 PolarHBondContact O-N 2.65Å
108	L	96.4	Very high	95.1	Very high	62 Å²	62	65.4 Å²	65.4	33%	0.325	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.1	179.5	66.9	86.3	0	0	0	111.7	I96 T97 W98 L110 T201	I96-L108 HydrophobicContact CG2-CB 3.87Å; I96-L108 HydrophobicContact CG2-CD1 4.42Å; T97-L108 CarbonylContact O-C 3.46Å; T97-L108 WeakPolarHBondContact O-CA 3.29Å; W98-L108 HydrophobicContact CD2-CB 4.1Å; W98-L108 HydrophobicContact CE3-CB 3.84Å; W98-L108 HydrophobicContact CE3-CD2 4.28Å; W98-L108 HydrophobicContact CH2-CD2 3.61Å; W98-L108 HydrophobicContact CZ2-CD2 4.21Å; W98-L108 HydrophobicContact CZ3-CB 4.09Å; W98-L108 HydrophobicContact CZ3-CD2 3.66Å; W98-L108 HydrophobicContact CZ3-CG 4.5Å; L108-L110 HydrophobicContact CD1-CB 4.05Å; L108-T201 HydrophobicContact CD1-CG2 3.9Å; L108-T201 HydrophobicContact CD2-CG2 3.83Å
109	L	95.9	Very high	95	Very high	32 Å²	32	66.2 Å²	66.2	17%	0.168	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.8	166.1	-71.3	178.7	0	0	0	109.1	L31 L39 T97 F99 V159	L31-L109 HydrophobicContact CD1-CD1 3.49Å; L31-L109 VanDerWaalsContact CD1-CD1 3.49Å; L31-L109 HydrophobicContact CD2-CD1 3.7Å; L31-L109 HydrophobicContact CG-CD1 4.26Å; L39-L109 HydrophobicContact CD1-CD1 4.09Å; T97-L109 PolarHBondContact N-O 2.82Å; T97-L109 PolarHBondContact O-N 3Å; F99-L109 HydrophobicContact CE1-CG 4.12Å; L109-V159 HydrophobicContact CD2-CG1 3.83Å
110	L	94.4	Very high	94.9	Very high	35 Å²	35	65.7 Å²	65.7	18%	0.183	35%	0.354	C	S	.	.			trans	-103.8	116.7	178.6	-179.8	69.2	0	0	0	110.1	W91 I96 L108 M112 T197 V200 T201	W91-L110 HydrophobicContact CE3-CD1 4.26Å; W91-L110 HydrophobicContact CH2-CD1 4.39Å; W91-L110 HydrophobicContact CH2-CD2 3.82Å; W91-L110 HydrophobicContact CH2-CG 4.14Å; W91-L110 HydrophobicContact CZ3-CD1 3.71Å; W91-L110 HydrophobicContact CZ3-CD2 3.98Å; W91-L110 HydrophobicContact CZ3-CG 3.81Å; I96-L110 HydrophobicContact CD1-CD1 4.43Å; I96-L110 HydrophobicContact CG1-CD1 3.75Å; L108-L110 HydrophobicContact CD1-CB 4.05Å; L110-M112 PolarHBondContact O-N 3.31Å; L110-T197 HydrophobicContact CD2-CG2 3.69Å; L110-V200 HydrophobicContact CD1-CG1 4.06Å; L110-T201 HydrophobicContact CD1-CG2 4.26Å; L110-T201 HydrophobicContact CD2-CG2 4.12Å
111	P	92.4	Very high	94.9	Very high	58 Å²	58	66.6 Å²	66.6	38%	0.377	36%	0.355	S	S	.	.			trans	-71.2	122.5	176.5	27.4	-33.7	0	0	0	111.5	W91 K94 H95	W91-P111 VanDerWaalsContact CZ3-O 3.3Å; W91-P111 WeakPolarHBondContact CZ3-O 3.46Å; K94-P111 HydrophobicContact CB-CG 4.14Å; K94-P111 HydrophobicContact CD-CG 4.33Å; K94-P111 HydrophobicContact CG-CG 4.44Å; H95-P111 WeakPolarHBondContact O-CD 3.39Å; H95-P111 WeakPolarHBondContact O-CG 3.25Å
112	M	91.2	Very high	94.9	Very high	52 Å²	52	69.8 Å²	69.8	26%	0.256	37%	0.37	S	S	.	.			trans	-115.3	158	-174.5	-170.3	176.9	-79	0	0	112.5	L110 T116 L120 T197	L110-M112 PolarHBondContact O-N 3.31Å; M112-T116 HydrophobicContact CE-CG2 4.1Å; M112-T116 HydrophobicContact CG-CG2 4Å; M112-T116 VanDerWaalsContact SD-CB 3.57Å; M112-T116 HydrophobicContact SD-CG2 3.35Å; M112-T116 WeakPolarHBondContact SD-CG2 3.18Å; M112-L120 HydrophobicContact CE-CD1 3.83Å; M112-L120 HydrophobicContact SD-CD1 3.84Å; M112-T197 HydrophobicContact CE-CG2 3.34Å
113	Q	91.6	Very high	94.9	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.402	34%	0.342	S	S	.	.			trans	-69.5	147.1	170.5	-65.9	-174.7	-6.7	0	0	111.2	V90 K115 T116 Y117	V90-Q113 HydrophobicContact CG1-CG 4.24Å; V90-Q113 VanDerWaalsContact CG1-NE2 3.3Å; Q113-K115 VanDerWaalsContact C-N 3.28Å; Q113-K115 PolarHBondContact O-N 2.67Å; Q113-T116 PolarHBondContact O-N 2.65Å; Q113-Y117 PolarHBondContact O-N 3.5Å
114	E	91.9	Very high	94.9	Very high	120 Å²	120	60 Å²	60	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-59.4	-37.3	-178.1	-172.3	177.3	175.8	0	0	113.1	Y117 R118	E114-Y117 PolarHBondContact O-N 3.41Å; E114-R118 HydrophobicContact CG-CG 4.34Å; E114-R118 WeakPolarHBondContact O-CG 3.37Å; E114-R118 PolarHBondContact O-N 3.48Å; E114-R118 IonicContact OE1-CZ 3.23Å; E114-R118 VanDerWaalsContact OE1-CZ 3.23Å; E114-R118 IonicContact OE1-NE 3.02Å; E114-R118 PolarHBondContact OE1-NE 3.45Å; E114-R118 IonicContact OE1-NH2 2.66Å; E114-R118 PolarHBondContact OE1-NH2 3.04Å
115	K	92.8	Very high	94.9	Very high	158 Å²	158	59.4 Å²	59.4	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-60.2	-48.2	178.1	-173.2	178.8	-179.7	-178.9	0	111.6	Q113 R119	Q113-K115 VanDerWaalsContact C-N 3.28Å; Q113-K115 PolarHBondContact O-N 2.67Å; K115-R119 PolarHBondContact O-N 3.44Å
116	T	93.4	Very high	94.9	Very high	23 Å²	23	58.5 Å²	58.5	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-42.8	177.6	-47.6	0	0	0	0	110.8	M112 Q113 R118 R119 L120 D193	M112-T116 HydrophobicContact CE-CG2 4.1Å; M112-T116 HydrophobicContact CG-CG2 4Å; M112-T116 VanDerWaalsContact SD-CB 3.57Å; M112-T116 HydrophobicContact SD-CG2 3.35Å; M112-T116 WeakPolarHBondContact SD-CG2 3.18Å; Q113-T116 PolarHBondContact O-N 2.65Å; T116-R118 PolarHBondContact O-N 3.23Å; T116-R119 PolarHBondContact O-N 3.15Å; T116-L120 HydrophobicContact CG2-CD1 4.13Å; T116-L120 HydrophobicContact CG2-CG 4.44Å; T116-L120 PolarHBondContact O-N 3Å; T116-D193 HydrophobicContact CG2-CB 4.08Å
117	Y	95.8	Very high	94.9	Very high	38 Å²	38	52.7 Å²	52.7	15%	0.149	26%	0.256	C	S	.	.	H	α-helix	trans	-55.8	-49.6	176	170	-95.4	0	0	0	112	Q113 E114 R119 L120 L121 N158 L160	Q113-Y117 PolarHBondContact O-N 3.5Å; E114-Y117 PolarHBondContact O-N 3.41Å; Y117-R119 VanDerWaalsContact C-N 3.32Å; Y117-R119 PolarHBondContact O-N 3.45Å; Y117-L120 PolarHBondContact O-N 2.99Å; Y117-L121 HydrophobicContact CE1-CD2 3.9Å; Y117-L121 WeakPolarHBondContact O-CB 3.44Å; Y117-L121 PolarHBondContact O-N 3.05Å; Y117-N158 VanDerWaalsContact OH-CA 3.28Å; Y117-N158 WeakPolarHBondContact OH-CA 3.38Å; Y117-N158 PolarHBondContact OH-N 2.97Å; Y117-L160 HydrophobicContact CD2-CD1 3.76Å; Y117-L160 HydrophobicContact CD2-CD2 3.93Å; Y117-L160 HydrophobicContact CD2-CG 3.58Å; Y117-L160 HydrophobicContact CE2-CD1 4.28Å; Y117-L160 HydrophobicContact CE2-CD2 3.62Å; Y117-L160 HydrophobicContact CE2-CG 3.59Å
118	R	95.4	Very high	94.9	Very high	151 Å²	151	52.8 Å²	52.8	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-62.8	-38.3	-179.3	-73.2	-177.5	-176.8	-148.6	4.6	112.2	E114 T116 L121 M122	E114-R118 HydrophobicContact CG-CG 4.34Å; E114-R118 WeakPolarHBondContact O-CG 3.37Å; E114-R118 PolarHBondContact O-N 3.48Å; E114-R118 IonicContact OE1-CZ 3.23Å; E114-R118 VanDerWaalsContact OE1-CZ 3.23Å; E114-R118 IonicContact OE1-NE 3.02Å; E114-R118 PolarHBondContact OE1-NE 3.45Å; E114-R118 IonicContact OE1-NH2 2.66Å; E114-R118 PolarHBondContact OE1-NH2 3.04Å; T116-R118 PolarHBondContact O-N 3.23Å; R118-L121 PolarHBondContact O-N 3.49Å; R118-M122 WeakPolarHBondContact O-CG 3.37Å; R118-M122 PolarHBondContact O-N 3.44Å; R118-M122 VanDerWaalsContact O-N 3.14Å
119	R	95.3	Very high	94.8	Very high	42 Å²	42	55 Å²	55	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-51	176.9	178.9	166.7	56	-129.6	-0.4	111.6	K115 T116 Y117 L121 M122 L123 T185 D193	K115-R119 PolarHBondContact O-N 3.44Å; T116-R119 PolarHBondContact O-N 3.15Å; Y117-R119 VanDerWaalsContact C-N 3.32Å; Y117-R119 PolarHBondContact O-N 3.45Å; R119-L121 VanDerWaalsContact C-N 3.27Å; R119-L121 PolarHBondContact O-N 2.94Å; R119-M122 WeakPolarHBondContact O-CB 3.34Å; R119-M122 PolarHBondContact O-N 2.75Å; R119-L123 PolarHBondContact O-N 3.23Å; R119-T185 HydrophobicContact CG-CG2 4.17Å; R119-D193 IonicContact CZ-OD1 2.75Å; R119-D193 IonicContact CZ-OD2 2.67Å; R119-D193 IonicContact NE-OD2 3.79Å; R119-D193 PolarHBondContact NE-OD2 2.87Å; R119-D193 IonicContact NH2-OD1 2.84Å; R119-D193 PolarHBondContact NH2-OD1 2.87Å; R119-D193 IonicContact NH2-OD2 2.65Å; R119-D193 PolarHBondContact NH2-OD2 3.16Å
120	L	96.4	Very high	94.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-28.3	177.5	-65.8	179.9	0	0	0	112.4	M112 T116 Y117 L123 Q124 L160 L165 D193 L194	M112-L120 HydrophobicContact CE-CD1 3.83Å; M112-L120 HydrophobicContact SD-CD1 3.84Å; T116-L120 HydrophobicContact CG2-CD1 4.13Å; T116-L120 HydrophobicContact CG2-CG 4.44Å; T116-L120 PolarHBondContact O-N 3Å; Y117-L120 PolarHBondContact O-N 2.99Å; L120-L123 HydrophobicContact CD2-CD2 4.26Å; L120-L123 WeakPolarHBondContact O-CB 3.39Å; L120-L123 PolarHBondContact O-N 2.88Å; L120-Q124 WeakPolarHBondContact O-CB 3.35Å; L120-Q124 PolarHBondContact O-N 3.22Å; L120-L160 HydrophobicContact CB-CD1 3.53Å; L120-L160 HydrophobicContact CD1-CD1 4.1Å; L120-L160 HydrophobicContact CG-CD1 4.47Å; L120-L165 HydrophobicContact CB-CD1 4.23Å; L120-L165 HydrophobicContact CB-CD2 4.47Å; L120-L165 HydrophobicContact CD1-CD1 4.38Å; L120-D193 HydrophobicContact CD1-CB 4.45Å; L120-D193 HydrophobicContact CD2-CB 4.21Å; L120-L194 HydrophobicContact CD2-CD2 4.02Å; L120-L194 HydrophobicContact CD2-CG 4.39Å
121	L	96.8	Very high	94.5	Very high	49 Å²	49	57.1 Å²	57.1	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-41.6	172.5	-178.3	63.7	0	0	0	111.8	Y117 R118 R119 L123 Q124 N125 L160	Y117-L121 HydrophobicContact CE1-CD2 3.9Å; Y117-L121 WeakPolarHBondContact O-CB 3.44Å; Y117-L121 PolarHBondContact O-N 3.05Å; R118-L121 PolarHBondContact O-N 3.49Å; R119-L121 VanDerWaalsContact C-N 3.27Å; R119-L121 PolarHBondContact O-N 2.94Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-Q124 PolarHBondContact O-N 2.97Å; L121-N125 PolarHBondContact O-N 3.5Å; L121-N125 PolarHBondContact O-ND2 2.95Å; L121-N125 VanDerWaalsContact O-ND2 3.16Å; L121-L160 HydrophobicContact CB-CD2 3.88Å; L121-L160 HydrophobicContact CD1-CD2 3.95Å
122	M	96.3	Very high	94.5	Very high	88 Å²	88	59.9 Å²	59.9	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-42.8	174.1	-69.3	-173.4	-68.7	0	0	110.9	R118 R119 N125 A126 I183	R118-M122 WeakPolarHBondContact O-CG 3.37Å; R118-M122 PolarHBondContact O-N 3.44Å; R118-M122 VanDerWaalsContact O-N 3.14Å; R119-M122 WeakPolarHBondContact O-CB 3.34Å; R119-M122 PolarHBondContact O-N 2.75Å; M122-N125 PolarHBondContact O-N 3.08Å; M122-A126 PolarHBondContact O-N 3.45Å; M122-A126 VanDerWaalsContact O-N 3.09Å; M122-I183 HydrophobicContact CB-CB 4.22Å; M122-I183 HydrophobicContact CB-CG2 4.22Å
123	L	96.8	Very high	94.8	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-47.7	173.5	178.1	62.5	0	0	0	111.8	R119 L120 L121 N125 A126 L127 L165 Y168 I183 I190	R119-L123 PolarHBondContact O-N 3.23Å; L120-L123 HydrophobicContact CD2-CD2 4.26Å; L120-L123 WeakPolarHBondContact O-CB 3.39Å; L120-L123 PolarHBondContact O-N 2.88Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L123-N125 VanDerWaalsContact C-N 3.28Å; L123-N125 PolarHBondContact O-N 2.78Å; L123-A126 WeakPolarHBondContact O-CA 3.42Å; L123-A126 WeakPolarHBondContact O-CB 3.38Å; L123-A126 PolarHBondContact O-N 3.18Å; L123-L127 HydrophobicContact CD1-CD1 4.13Å; L123-L127 HydrophobicContact CD1-CD2 4.44Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CD2-CD1 4.45Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.21Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 2.99Å; L123-L165 HydrophobicContact CB-CD2 4.38Å; L123-L165 HydrophobicContact CD2-CD2 3.96Å; L123-L165 HydrophobicContact CG-CD2 4.09Å; L123-Y168 HydrophobicContact CD1-CD2 3.7Å; L123-Y168 HydrophobicContact CD1-CE2 3.99Å; L123-Y168 HydrophobicContact CD1-CG 4.32Å; L123-Y168 HydrophobicContact CD2-CD2 4.37Å; L123-Y168 HydrophobicContact CD2-CG 4.17Å; L123-I183 HydrophobicContact CB-CD1 4.04Å; L123-I183 HydrophobicContact CD1-CD1 4.44Å; L123-I190 HydrophobicContact CD1-CD1 4.47Å; L123-I190 HydrophobicContact CD2-CG2 3.4Å; L123-I190 VanDerWaalsContact CD2-CG2 3.4Å
124	Q	96.9	Very high	94.9	Very high	18 Å²	18	62.1 Å²	62.1	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-42.2	178.6	-168.2	-176.4	-62.3	0	0	112	L120 L121 L127 T128 L160 L164 L165	L120-Q124 WeakPolarHBondContact O-CB 3.35Å; L120-Q124 PolarHBondContact O-N 3.22Å; L121-Q124 PolarHBondContact O-N 2.97Å; Q124-L127 PolarHBondContact O-N 2.99Å; Q124-T128 WeakPolarHBondContact O-CB 3.5Å; Q124-T128 PolarHBondContact O-N 2.96Å; Q124-T128 PolarHBondContact O-OG1 3.3Å; Q124-L160 VanDerWaalsContact OE1-CA 3.3Å; Q124-L164 HydrophobicContact CG-CD2 3.77Å; Q124-L165 HydrophobicContact CB-CD2 4.11Å
125	N	96.1	Very high	95	Very high	64 Å²	64	61.1 Å²	61.1	34%	0.342	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176.7	-69	-35.8	0	0	0	112	L121 M122 L123 T129	L121-N125 PolarHBondContact O-N 3.5Å; L121-N125 PolarHBondContact O-ND2 2.95Å; L121-N125 VanDerWaalsContact O-ND2 3.16Å; M122-N125 PolarHBondContact O-N 3.08Å; L123-N125 VanDerWaalsContact C-N 3.28Å; L123-N125 PolarHBondContact O-N 2.78Å; N125-T129 PolarHBondContact O-N 3.04Å; N125-T129 PolarHBondContact O-OG1 2.99Å
126	A	95.7	Very high	95.1	Very high	10 Å²	10	57 Å²	57	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-45.5	174.9	0	0	0	0	0	111.1	M122 L123 T128 T129 M130 L179 I183	M122-A126 PolarHBondContact O-N 3.45Å; M122-A126 VanDerWaalsContact O-N 3.09Å; L123-A126 WeakPolarHBondContact O-CA 3.42Å; L123-A126 WeakPolarHBondContact O-CB 3.38Å; L123-A126 PolarHBondContact O-N 3.18Å; A126-T128 VanDerWaalsContact C-N 3.33Å; A126-T128 PolarHBondContact O-N 3.01Å; A126-T129 PolarHBondContact O-N 3.41Å; A126-T129 VanDerWaalsContact O-N 3.16Å; A126-T129 PolarHBondContact O-OG1 3.15Å; A126-T129 VanDerWaalsContact O-OG1 3.06Å; A126-M130 WeakPolarHBondContact O-CB 3.42Å; A126-M130 WeakPolarHBondContact O-CG 3.43Å; A126-M130 PolarHBondContact O-N 3.26Å; A126-L179 HydrophobicContact CB-CD2 4.02Å; A126-I183 HydrophobicContact CB-CG2 4.07Å
127	L	95.9	Very high	95.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-37.6	178	-66.1	171.7	0	0	0	112.6	L123 Q124 T129 L131 L164 L165 Y168 L171 L179	L123-L127 HydrophobicContact CD1-CD1 4.13Å; L123-L127 HydrophobicContact CD1-CD2 4.44Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CD2-CD1 4.45Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.21Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 2.99Å; Q124-L127 PolarHBondContact O-N 2.99Å; L127-T129 PolarHBondContact O-N 3.37Å; L127-L131 HydrophobicContact CB-CD1 4.33Å; L127-L131 HydrophobicContact CD2-CD1 3.61Å; L127-L131 HydrophobicContact CD2-CG 4.19Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 2.84Å; L127-L164 HydrophobicContact CB-CD1 4.23Å; L127-L164 HydrophobicContact CB-CG 4.16Å; L127-L164 WeakPolarHBondContact CD1-O 3.39Å; L127-L165 HydrophobicContact CD1-CD2 4.26Å; L127-Y168 HydrophobicContact CD2-CD2 4.4Å; L127-L171 HydrophobicContact CD2-CD1 4.13Å; L127-L179 HydrophobicContact CD2-CD1 3.91Å
128	T	95.9	Very high	95.1	Very high	19 Å²	19	63.8 Å²	63.8	12%	0.117	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-29.5	176.7	-56.2	0	0	0	0	112.5	Q124 A126 H133 R140 L164	Q124-T128 WeakPolarHBondContact O-CB 3.5Å; Q124-T128 PolarHBondContact O-N 2.96Å; Q124-T128 PolarHBondContact O-OG1 3.3Å; A126-T128 VanDerWaalsContact C-N 3.33Å; A126-T128 PolarHBondContact O-N 3.01Å; T128-H133 PolarHBondContact O-NE2 2.71Å; T128-H133 VanDerWaalsContact O-NE2 3.16Å; T128-R140 HydrophobicContact CG2-CB 3.87Å; T128-L164 WeakPolarHBondContact OG1-CD2 3.47Å
129	T	93.8	Very high	95.1	Very high	108 Å²	108	57.6 Å²	57.6	66%	0.663	34%	0.337	S	S	*	.	H	α-helix	trans	-101.2	-30.1	-173.3	51.2	0	0	0	0	113.2	N125 A126 L127	N125-T129 PolarHBondContact O-N 3.04Å; N125-T129 PolarHBondContact O-OG1 2.99Å; A126-T129 PolarHBondContact O-N 3.41Å; A126-T129 VanDerWaalsContact O-N 3.16Å; A126-T129 PolarHBondContact O-OG1 3.15Å; A126-T129 VanDerWaalsContact O-OG1 3.06Å; L127-T129 PolarHBondContact O-N 3.37Å
130	M	90.8	Very high	95.1	Very high	82 Å²	82	61.3 Å²	61.3	40%	0.404	35%	0.351	S	S	.	.	H	α-helix	trans	-100	-18.3	-172.3	-62.7	-173.8	65.4	0	0	113.8	A126 L179 K182	A126-M130 WeakPolarHBondContact O-CB 3.42Å; A126-M130 WeakPolarHBondContact O-CG 3.43Å; A126-M130 PolarHBondContact O-N 3.26Å; M130-L179 HydrophobicContact CB-CD2 4.22Å; M130-L179 HydrophobicContact CE-CD2 4.01Å; M130-L179 HydrophobicContact CG-CD2 4.34Å; M130-L179 HydrophobicContact SD-CD2 3.42Å; M130-L179 WeakPolarHBondContact SD-CD2 3.33Å; M130-K182 HydrophobicContact CE-CD 4.34Å; M130-K182 HydrophobicContact SD-CD 3.62Å; M130-K182 PolarHBondContact SD-NZ 2.72Å
131	L	92.4	Very high	94.9	Very high	31 Å²	31	63.4 Å²	63.4	16%	0.162	37%	0.369	C	S	.	.	S	Bend	trans	-97.4	140.6	178.3	-62.2	-176.2	0	0	0	111.8	L127 R167 L171	L127-L131 HydrophobicContact CB-CD1 4.33Å; L127-L131 HydrophobicContact CD2-CD1 3.61Å; L127-L131 HydrophobicContact CD2-CG 4.19Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 2.84Å; L131-R167 HydrophobicContact CD1-CB 3.93Å; L131-L171 HydrophobicContact CD2-CD1 4.32Å; L131-L171 HydrophobicContact CD2-CD2 3.73Å
132	P	94.1	Very high	94.9	Very high	115 Å²	115	65.7 Å²	65.7	75%	0.747	38%	0.377	S	S	*	.			trans	-67.2	138	166.4	29	-32.8	0	0	0	109.9
133	H	95.9	Very high	94.9	Very high	32 Å²	32	63.7 Å²	63.7	15%	0.148	37%	0.365	C	S	.	.			trans	-112.1	143.3	177.2	-59.9	-53.5	0	0	0	110.4	T128 A135 G136 L137 P139 R167	T128-H133 PolarHBondContact O-NE2 2.71Å; T128-H133 VanDerWaalsContact O-NE2 3.16Å; H133-A135 PolarHBondContact O-N 3.37Å; H133-G136 PolarHBondContact O-N 3.03Å; H133-L137 WeakPolarHBondContact CB-O 3.43Å; H133-L137 PolarHBondContact CD2-O 2.92Å; H133-P139 WeakPolarHBondContact CD2-CD 3.1Å; H133-P139 WeakPolarHBondContact NE2-CD 3.35Å; H133-R167 PolarHBondContact ND1-NH1 2.96Å
134	H	93.8	Very high	94.7	Very high	154 Å²	154	67 Å²	67	71%	0.713	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-56.7	138	178.4	-62.4	-70	0	0	0	110.6	G136 L137	H134-G136 PolarHBondContact O-N 3.16Å; H134-L137 PolarHBondContact O-N 3.3Å
135	A	95.7	Very high	94.5	Very high	98 Å²	98	67.3 Å²	67.3	81%	0.81	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	54.5	19.9	-176.1	0	0	0	0	0	115	H133 L137	H133-A135 PolarHBondContact O-N 3.37Å; A135-L137 HydrophobicContact CB-CD1 4.45Å; A135-L137 HydrophobicContact CB-CG 4.15Å; A135-L137 PolarHBondContact O-N 3.38Å
136	G	93.4	Very high	94.2	Very high	71 Å²	71	68.2 Å²	68.2	73%	0.732	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	66.1	16.7	-179.3	0	0	0	0	0	114.1	H133 H134	H133-G136 PolarHBondContact O-N 3.03Å; H134-G136 PolarHBondContact O-N 3.16Å
137	L	95.1	Very high	93.7	Very high	122 Å²	122	70.8 Å²	70.8	64%	0.639	40%	0.4	S	S	*	.			trans	-70.7	146.8	-178.2	-62.1	177	0	0	0	111.2	H133 H134 A135 P139	H133-L137 WeakPolarHBondContact CB-O 3.43Å; H133-L137 PolarHBondContact CD2-O 2.92Å; H134-L137 PolarHBondContact O-N 3.3Å; A135-L137 HydrophobicContact CB-CD1 4.45Å; A135-L137 HydrophobicContact CB-CG 4.15Å; A135-L137 PolarHBondContact O-N 3.38Å; L137-P139 WeakPolarHBondContact O-CD 3.43Å
138	N	95.2	Very high	92.9	Very high	83 Å²	83	77.8 Å²	77.8	44%	0.444	44%	0.437	S	S	.	.			trans	-97.8	109.1	176	-178.1	-13.2	0	0	0	110.4	R140 A141 F142	N138-R140 VanDerWaalsContact C-N 3.25Å; N138-R140 PolarHBondContact O-N 3.4Å; N138-R140 WeakPolarHBondContact OD1-CB 3.45Å; N138-R140 PolarHBondContact OD1-N 3.06Å; N138-A141 HydrophobicContact CB-CB 3.96Å; N138-A141 PolarHBondContact O-N 2.89Å; N138-A141 VanDerWaalsContact O-N 3.15Å; N138-A141 PolarHBondContact OD1-N 2.99Å; N138-F142 PolarHBondContact O-N 2.85Å
139	P	95.2	Very high	92.1	Very high	20 Å²	20	86.7 Å²	86.7	13%	0.13	47%	0.469	C	S	.	.	H	α-helix	trans	-58	-37.6	179.9	-24.3	33.4	0	0	0	112.8	H133 L137 A141 F142 R143 L164	H133-P139 WeakPolarHBondContact CD2-CD 3.1Å; H133-P139 WeakPolarHBondContact NE2-CD 3.35Å; L137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-A141 PolarHBondContact O-N 3.41Å; P139-F142 PolarHBondContact O-N 3.04Å; P139-R143 WeakPolarHBondContact O-CG 3.36Å; P139-R143 PolarHBondContact O-N 3.09Å; P139-L164 HydrophobicContact CB-CD2 3.99Å; P139-L164 HydrophobicContact CG-CD1 4.29Å; P139-L164 HydrophobicContact CG-CD2 4.38Å
140	R	94.1	Very high	91.1	Very high	120 Å²	120	93.9 Å²	93.9	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-42	179.4	177.9	-179.2	-179.8	-178.1	2.4	111.6	T128 N138 M144	T128-R140 HydrophobicContact CG2-CB 3.87Å; N138-R140 VanDerWaalsContact C-N 3.25Å; N138-R140 PolarHBondContact O-N 3.4Å; N138-R140 WeakPolarHBondContact OD1-CB 3.45Å; N138-R140 PolarHBondContact OD1-N 3.06Å; R140-M144 WeakPolarHBondContact O-CG 3.47Å; R140-M144 PolarHBondContact O-N 3.39Å
141	A	93.6	Very high	90.5	Very high	47 Å²	47	93.6 Å²	93.6	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-66.4	-42.6	177.3	0	0	0	0	0	110.7	N138 P139 R143 M144	N138-A141 HydrophobicContact CB-CB 3.96Å; N138-A141 PolarHBondContact O-N 2.89Å; N138-A141 VanDerWaalsContact O-N 3.15Å; N138-A141 PolarHBondContact OD1-N 2.99Å; P139-A141 PolarHBondContact O-N 3.41Å; A141-R143 VanDerWaalsContact C-N 3.32Å; A141-R143 PolarHBondContact O-N 3.22Å; A141-M144 WeakPolarHBondContact O-CB 3.28Å; A141-M144 PolarHBondContact O-N 2.8Å
142	F	95.4	Very high	89.8	Confident	96 Å²	96	101 Å²	101	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-59.9	-37.9	177.6	175.9	-107.5	0	0	0	113.3	H64 N138 P139 M144	H64-F142 WeakPolarHBondContact CB-O 3.43Å; H64-F142 AromaticContact CD2-CE2 4Å; H64-F142 PolarHBondContact CD2-O 3.39Å; N138-F142 PolarHBondContact O-N 2.85Å; P139-F142 PolarHBondContact O-N 3.04Å; F142-M144 VanDerWaalsContact C-N 3.33Å
143	R	96.3	Very high	89.1	Confident	47 Å²	47	98.2 Å²	98.2	18%	0.177	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.8	-179.8	-63.2	-51.7	-170	179.5	1.7	114.7	F63 H64 V65 P139 A141 D161	F63-R143 HydrophobicContact CD2-CB 4.29Å; F63-R143 HydrophobicContact CE2-CB 4Å; F63-R143 HydrophobicContact CE2-CG 3.8Å; F63-R143 HydrophobicContact CZ-CG 4.08Å; H64-R143 PolarHBondContact N-O 3.37Å; H64-R143 WeakPolarHBondContact O-CD 3.12Å; H64-R143 PolarHBondContact O-NH1 2.88Å; V65-R143 PolarHBondContact O-NH1 2.77Å; V65-R143 VanDerWaalsContact O-NH1 3.08Å; P139-R143 WeakPolarHBondContact O-CG 3.36Å; P139-R143 PolarHBondContact O-N 3.09Å; A141-R143 VanDerWaalsContact C-N 3.32Å; A141-R143 PolarHBondContact O-N 3.22Å; R143-D161 HydrophobicContact CG-CB 4.32Å; R143-D161 WeakPolarHBondContact CG-OD2 3.35Å; R143-D161 IonicContact CZ-OD1 2.96Å; R143-D161 IonicContact CZ-OD2 2.88Å; R143-D161 VanDerWaalsContact NE-CG 3.34Å; R143-D161 IonicContact NE-OD1 3.03Å; R143-D161 IonicContact NE-OD2 3.57Å; R143-D161 PolarHBondContact NE-OD2 2.79Å; R143-D161 IonicContact NH2-OD1 3.75Å; R143-D161 PolarHBondContact NH2-OD1 3.47Å; R143-D161 VanDerWaalsContact NH2-OD1 3.16Å; R143-D161 IonicContact NH2-OD2 3.66Å
144	M	93.3	Very high	88.6	Confident	71 Å²	71	103.2 Å²	103.2	35%	0.35	53%	0.53	S	S	.	.	S	Bend	trans	-69.1	146.6	178.3	-79.7	-179.1	53.2	0	0	111.2	H64 R140 A141 F142 H146 R157	H64-M144 WeakPolarHBondContact CB-O 3.35Å; R140-M144 WeakPolarHBondContact O-CG 3.47Å; R140-M144 PolarHBondContact O-N 3.39Å; A141-M144 WeakPolarHBondContact O-CB 3.28Å; A141-M144 PolarHBondContact O-N 2.8Å; F142-M144 VanDerWaalsContact C-N 3.33Å; M144-H146 PolarHBondContact O-CD2 3.17Å; M144-H146 PolarHBondContact O-N 3.3Å; M144-R157 VanDerWaalsContact CE-NH2 3.34Å; M144-R157 PolarHBondContact SD-NH2 3.32Å
145	L	91.9	Very high	88.2	Confident	24 Å²	24	97.7 Å²	97.7	13%	0.126	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-55.1	121.5	175.2	-178.5	79.1	0	0	0	110.8	N38 M40 D62 V147 A155	N38-L145 HydrophobicContact CB-CD1 3.77Å; M40-L145 HydrophobicContact CG-CD1 4.18Å; M40-L145 HydrophobicContact SD-CD1 4.04Å; D62-L145 HydrophobicContact CB-CB 4.27Å; D62-L145 HydrophobicContact CB-CD1 4.01Å; D62-L145 WeakPolarHBondContact OD1-CB 3.43Å; L145-V147 HydrophobicContact CD1-CG2 4.42Å; L145-V147 HydrophobicContact CD2-CG2 3.47Å; L145-V147 VanDerWaalsContact CD2-CG2 3.47Å; L145-V147 HydrophobicContact CG-CG2 3.61Å; L145-A155 HydrophobicContact CB-CB 4.4Å
146	H	90.3	Very high	87.8	Confident	82 Å²	82	95.4 Å²	95.4	38%	0.38	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-93.6	125	172.3	-68.6	177.8	0	0	0	109.2	N38 H64 M144	N38-H146 PolarHBondContact ND2-O 3.19Å; N38-H146 PolarHBondContact OD1-N 3.32Å; H64-H146 AromaticContact CE1-ND1 3.5Å; H64-H146 PolarHBondContact CE1-ND1 3.36Å; H64-H146 AromaticContact ND1-ND1 3.79Å; H64-H146 AromaticContact NE2-CE1 3.94Å; H64-H146 AromaticContact NE2-ND1 3.72Å; M144-H146 PolarHBondContact O-CD2 3.17Å; M144-H146 PolarHBondContact O-N 3.3Å
147	V	85.3	Confident	87.4	Confident	64 Å²	64	97 Å²	97	39%	0.388	47%	0.471	S	S	.	.			trans	-137.5	118.2	176	-165.3	0	0	0	0	108.3	L145 R149 T151	L145-V147 HydrophobicContact CD1-CG2 4.42Å; L145-V147 HydrophobicContact CD2-CG2 3.47Å; L145-V147 VanDerWaalsContact CD2-CG2 3.47Å; L145-V147 HydrophobicContact CG-CG2 3.61Å; V147-R149 WeakPolarHBondContact CG1-O 3.34Å; V147-R149 PolarHBondContact O-N 3.21Å; V147-T151 HydrophobicContact CG1-CG2 4.34Å
148	D	78.9	Confident	87.4	Confident	147 Å²	147	95.1 Å²	95.1	79%	0.786	46%	0.461	S	S	*	.	S	Bend	trans	-64.8	-24.7	179.1	-74.1	-11.3	0	0	0	112.7
149	R	78.7	Confident	87.4	Confident	207 Å²	207	92.7 Å²	92.7	78%	0.781	45%	0.45	S	S	*	.	S	Bend	trans	-109.8	131.3	179.5	-71.2	-176.7	167.4	-168.8	-4.9	111.1	V147 T151	V147-R149 WeakPolarHBondContact CG1-O 3.34Å; V147-R149 PolarHBondContact O-N 3.21Å; R149-T151 PolarHBondContact O-N 3.47Å
150	R	74	Confident	87.5	Confident	259 Å²	259	93.1 Å²	93.1	98%	0.977	45%	0.451	S	S	*	.			trans	-61.4	114.6	172.3	-167.6	174.3	-179.2	179.9	-0.4	109.6
151	T	77.8	Confident	87.7	Confident	76 Å²	76	87.9 Å²	87.9	47%	0.466	43%	0.432	S	S	.	.			trans	-109.4	155	173.7	60.1	0	0	0	0	109.8	V147 R149 Q153	V147-T151 HydrophobicContact CG1-CG2 4.34Å; R149-T151 PolarHBondContact O-N 3.47Å; T151-Q153 PolarHBondContact O-N 3.04Å
152	L	78.2	Confident	87.7	Confident	185 Å²	185	87.5 Å²	87.5	97%	0.969	43%	0.433	S	S	*	.	S	Bend	trans	-73.5	-2.5	176.7	-64.8	172	0	0	0	112.9
153	Q	79.8	Confident	87.7	Confident	57 Å²	57	88.9 Å²	88.9	27%	0.266	44%	0.44	S	S	.	.			trans	-102.2	114.6	-175.5	-168.5	174.6	1.6	0	0	110.9	R59 T151	R59-Q153 VanDerWaalsContact CB-NE2 3.26Å; R59-Q153 PolarHBondContact NH2-O 3.2Å; T151-Q153 PolarHBondContact O-N 3.04Å
154	N	84.3	Confident	87.7	Confident	137 Å²	137	86.9 Å²	86.9	73%	0.733	43%	0.433	S	S	*	.			trans	-64.1	154.1	176.2	-65.6	-30.7	0	0	0	112	R59 V156	R59-N154 PolarHBondContact NH2-O 3.1Å; N154-V156 PolarHBondContact O-N 3.36Å
155	A	85.5	Confident	87.8	Confident	39 Å²	39	83.8 Å²	83.8	32%	0.322	42%	0.418	S	S	.	.			trans	-59.9	127.8	165.7	0	0	0	0	0	109.1	D62 L145	D62-A155 WeakPolarHBondContact OD1-CA 3.46Å; D62-A155 VanDerWaalsContact OD1-CB 3.27Å; D62-A155 WeakPolarHBondContact OD1-CB 3.41Å; L145-A155 HydrophobicContact CB-CB 4.4Å
156	V	87.4	Confident	88	Confident	50 Å²	50	84.9 Å²	84.9	30%	0.303	42%	0.424	S	S	.	.			trans	-88.5	-32	-178.2	-173.1	0	0	0	0	109.9	R59 R60 D62 N154	R59-V156 HydrophobicContact CB-CG2 4.49Å; R59-V156 HydrophobicContact CG-CG2 4.46Å; R60-V156 WeakPolarHBondContact O-CG1 3.13Å; D62-V156 PolarHBondContact OD1-N 2.81Å; D62-V156 VanDerWaalsContact OD2-CA 3.26Å; D62-V156 WeakPolarHBondContact OD2-CA 3.19Å; D62-V156 VanDerWaalsContact OD2-CB 3.27Å; D62-V156 WeakPolarHBondContact OD2-CB 3.36Å; D62-V156 PolarHBondContact OD2-N 2.93Å; N154-V156 PolarHBondContact O-N 3.36Å
157	R	85.8	Confident	88.2	Confident	104 Å²	104	84.5 Å²	84.5	39%	0.392	42%	0.419	S	S	.	.			trans	58.4	-163.4	-170.3	-54.2	172.5	177.6	161.3	-2	107.8	A61 D62 M144	A61-R157 WeakPolarHBondContact CA-O 3.33Å; D62-R157 PolarHBondContact OD2-N 2.87Å; M144-R157 VanDerWaalsContact CE-NH2 3.34Å; M144-R157 PolarHBondContact SD-NH2 3.32Å
158	N	94	Very high	88.8	Confident	82 Å²	82	81.4 Å²	81.4	44%	0.439	40%	0.401	S	S	.	.			trans	100.3	23	-170.4	-46.9	-33.9	0	0	0	116.2	R60 A61 Y117	R60-N158 PolarHBondContact O-ND2 3.47Å; A61-N158 HydrophobicContact CB-CB 4.07Å; Y117-N158 VanDerWaalsContact OH-CA 3.28Å; Y117-N158 WeakPolarHBondContact OH-CA 3.38Å; Y117-N158 PolarHBondContact OH-N 2.97Å
159	V	96.6	Very high	89.5	Confident	33 Å²	33	77 Å²	77	20%	0.2	38%	0.377	C	S	.	.			trans	-127.9	132.7	162.3	-175.9	0	0	0	0	107.6	A61 F63 L109	A61-V159 HydrophobicContact CB-CG2 3.88Å; F63-V159 HydrophobicContact CB-CB 3.81Å; F63-V159 HydrophobicContact CB-CG1 4.02Å; F63-V159 HydrophobicContact CB-CG2 3.88Å; F63-V159 HydrophobicContact CD1-CG1 4.41Å; F63-V159 HydrophobicContact CD2-CB 3.66Å; F63-V159 HydrophobicContact CD2-CG1 3.58Å; F63-V159 HydrophobicContact CE2-CB 4.47Å; F63-V159 HydrophobicContact CE2-CG1 4.04Å; F63-V159 HydrophobicContact CG-CB 3.95Å; F63-V159 HydrophobicContact CG-CG1 3.76Å; L109-V159 HydrophobicContact CD2-CG1 3.83Å
160	L	96.9	Very high	90.3	Very high	28 Å²	28	76.8 Å²	76.8	15%	0.147	38%	0.377	C	S	.	.			trans	-87.4	148.8	175.3	-63.5	171.4	0	0	0	110.2	Y117 L120 L121 Q124 G162 L165	Y117-L160 HydrophobicContact CD2-CD1 3.76Å; Y117-L160 HydrophobicContact CD2-CD2 3.93Å; Y117-L160 HydrophobicContact CD2-CG 3.58Å; Y117-L160 HydrophobicContact CE2-CD1 4.28Å; Y117-L160 HydrophobicContact CE2-CD2 3.62Å; Y117-L160 HydrophobicContact CE2-CG 3.59Å; L120-L160 HydrophobicContact CB-CD1 3.53Å; L120-L160 HydrophobicContact CD1-CD1 4.1Å; L120-L160 HydrophobicContact CG-CD1 4.47Å; L121-L160 HydrophobicContact CB-CD2 3.88Å; L121-L160 HydrophobicContact CD1-CD2 3.95Å; Q124-L160 VanDerWaalsContact OE1-CA 3.3Å; L160-G162 PolarHBondContact O-N 3.41Å; L160-L165 HydrophobicContact CB-CD1 4.02Å; L160-L165 HydrophobicContact CD1-CD1 4.24Å
161	D	97	Very high	91.3	Very high	11 Å²	11	65.5 Å²	65.5	6%	0.059	34%	0.336	C	S	.	.			trans	-87.5	95.7	173.8	-166.2	-7.7	0	0	0	109.8	F63 R143 E163 L164 L165	F63-D161 HydrophobicContact CE2-CB 4.41Å; R143-D161 HydrophobicContact CG-CB 4.32Å; R143-D161 WeakPolarHBondContact CG-OD2 3.35Å; R143-D161 IonicContact CZ-OD1 2.96Å; R143-D161 IonicContact CZ-OD2 2.88Å; R143-D161 VanDerWaalsContact NE-CG 3.34Å; R143-D161 IonicContact NE-OD1 3.03Å; R143-D161 IonicContact NE-OD2 3.57Å; R143-D161 PolarHBondContact NE-OD2 2.79Å; R143-D161 IonicContact NH2-OD1 3.75Å; R143-D161 PolarHBondContact NH2-OD1 3.47Å; R143-D161 VanDerWaalsContact NH2-OD1 3.16Å; R143-D161 IonicContact NH2-OD2 3.66Å; D161-E163 PolarHBondContact O-N 3.22Å; D161-E163 PolarHBondContact OD1-N 3.24Å; D161-L164 HydrophobicContact CB-CB 3.97Å; D161-L164 PolarHBondContact O-N 3.14Å; D161-L165 WeakPolarHBondContact O-CG 3.15Å; D161-L165 PolarHBondContact O-N 3.29Å
162	G	95	Very high	92.2	Very high	39 Å²	39	64.6 Å²	64.6	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-36	179.2	0	0	0	0	0	112.9	L160 L164 L165 N166	L160-G162 PolarHBondContact O-N 3.41Å; G162-L164 VanDerWaalsContact C-N 3.32Å; G162-L164 PolarHBondContact O-N 3.08Å; G162-L165 PolarHBondContact O-N 3.36Å; G162-N166 WeakPolarHBondContact O-CB 3.47Å; G162-N166 PolarHBondContact O-N 2.93Å; G162-N166 PolarHBondContact O-ND2 3.27Å; G162-N166 PolarHBondContact O-OD1 3.13Å
163	E	94.5	Very high	93	Very high	124 Å²	124	60.4 Å²	60.4	58%	0.579	32%	0.315	S	S	*	.	H	α-helix	trans	-66.4	-37.3	179.1	-171.7	57.1	-149.3	0	0	111.7	D161	D161-E163 PolarHBondContact O-N 3.22Å; D161-E163 PolarHBondContact OD1-N 3.24Å
164	L	96.2	Very high	93.7	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-70.3	-41.5	174	-176.2	59.5	0	0	0	111.3	Q124 L127 T128 P139 D161 G162 N166 R167	Q124-L164 HydrophobicContact CG-CD2 3.77Å; L127-L164 HydrophobicContact CB-CD1 4.23Å; L127-L164 HydrophobicContact CB-CG 4.16Å; L127-L164 WeakPolarHBondContact CD1-O 3.39Å; T128-L164 WeakPolarHBondContact OG1-CD2 3.47Å; P139-L164 HydrophobicContact CB-CD2 3.99Å; P139-L164 HydrophobicContact CG-CD1 4.29Å; P139-L164 HydrophobicContact CG-CD2 4.38Å; D161-L164 HydrophobicContact CB-CB 3.97Å; D161-L164 PolarHBondContact O-N 3.14Å; G162-L164 VanDerWaalsContact C-N 3.32Å; G162-L164 PolarHBondContact O-N 3.08Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 3.42Å; L164-R167 VanDerWaalsContact O-CB 3.29Å; L164-R167 WeakPolarHBondContact O-CB 3.35Å; L164-R167 PolarHBondContact O-N 3.3Å
165	L	96.6	Very high	94.2	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-37.5	177.7	-69.6	174.7	0	0	0	112.1	L120 L123 Q124 L127 L160 D161 G162 R167 Y168 L194	L120-L165 HydrophobicContact CB-CD1 4.23Å; L120-L165 HydrophobicContact CB-CD2 4.47Å; L120-L165 HydrophobicContact CD1-CD1 4.38Å; L123-L165 HydrophobicContact CB-CD2 4.38Å; L123-L165 HydrophobicContact CD2-CD2 3.96Å; L123-L165 HydrophobicContact CG-CD2 4.09Å; Q124-L165 HydrophobicContact CB-CD2 4.11Å; L127-L165 HydrophobicContact CD1-CD2 4.26Å; L160-L165 HydrophobicContact CB-CD1 4.02Å; L160-L165 HydrophobicContact CD1-CD1 4.24Å; D161-L165 WeakPolarHBondContact O-CG 3.15Å; D161-L165 PolarHBondContact O-N 3.29Å; G162-L165 PolarHBondContact O-N 3.36Å; L165-R167 PolarHBondContact O-N 2.99Å; L165-R167 VanDerWaalsContact O-N 3.15Å; L165-Y168 WeakPolarHBondContact O-CB 3.34Å; L165-Y168 PolarHBondContact O-N 3.09Å; L165-L194 HydrophobicContact CB-CD2 3.99Å; L165-L194 HydrophobicContact CD1-CD2 4.46Å
166	N	95.3	Very high	94.7	Very high	47 Å²	47	62.3 Å²	62.3	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-58	-28.9	176.5	-75.6	-13.1	0	0	0	112.4	G162 L164 Y168 L169 Y170	G162-N166 WeakPolarHBondContact O-CB 3.47Å; G162-N166 PolarHBondContact O-N 2.93Å; G162-N166 PolarHBondContact O-ND2 3.27Å; G162-N166 PolarHBondContact O-OD1 3.13Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 3.42Å; N166-Y168 PolarHBondContact O-N 3.29Å; N166-Y168 VanDerWaalsContact O-N 3.14Å; N166-L169 WeakPolarHBondContact O-CB 3.36Å; N166-L169 PolarHBondContact O-N 3.42Å; N166-Y170 VanDerWaalsContact O-CD2 3.23Å; N166-Y170 WeakPolarHBondContact O-CD2 3.28Å
167	R	95.5	Very high	95.1	Very high	73 Å²	73	61.6 Å²	61.6	28%	0.275	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29.5	174	-59.7	-165.7	-176.5	-161.9	-3.6	113	L131 H133 L164 L165 L169 Y170	L131-R167 HydrophobicContact CD1-CB 3.93Å; H133-R167 PolarHBondContact ND1-NH1 2.96Å; L164-R167 VanDerWaalsContact O-CB 3.29Å; L164-R167 WeakPolarHBondContact O-CB 3.35Å; L164-R167 PolarHBondContact O-N 3.3Å; L165-R167 PolarHBondContact O-N 2.99Å; L165-R167 VanDerWaalsContact O-N 3.15Å; R167-L169 PolarHBondContact O-N 3.4Å; R167-Y170 PolarHBondContact O-N 3.26Å; R167-Y170 VanDerWaalsContact O-N 3.13Å
168	Y	96.3	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.6	175.6	-174.5	-102.8	0	0	0	112.4	L123 L127 L165 N166 Y170 L171 R176 L179 I190 L191 L194	L123-Y168 HydrophobicContact CD1-CD2 3.7Å; L123-Y168 HydrophobicContact CD1-CE2 3.99Å; L123-Y168 HydrophobicContact CD1-CG 4.32Å; L123-Y168 HydrophobicContact CD2-CD2 4.37Å; L123-Y168 HydrophobicContact CD2-CG 4.17Å; L127-Y168 HydrophobicContact CD2-CD2 4.4Å; L165-Y168 WeakPolarHBondContact O-CB 3.34Å; L165-Y168 PolarHBondContact O-N 3.09Å; N166-Y168 PolarHBondContact O-N 3.29Å; N166-Y168 VanDerWaalsContact O-N 3.14Å; Y168-Y170 PolarHBondContact O-N 3.41Å; Y168-L171 HydrophobicContact CD2-CD1 4.14Å; Y168-L171 PolarHBondContact O-N 2.78Å; Y168-R176 HydrophobicContact CD2-CG 4.25Å; Y168-R176 HydrophobicContact CE1-CB 4.44Å; Y168-R176 HydrophobicContact CE1-CG 4.07Å; Y168-R176 HydrophobicContact CE2-CB 3.97Å; Y168-R176 HydrophobicContact CE2-CG 3.8Å; Y168-R176 WeakPolarHBondContact O-CD 3.46Å; Y168-R176 WeakPolarHBondContact OH-CB 3.11Å; Y168-R176 PolarHBondContact OH-O 3.18Å; Y168-L179 HydrophobicContact CD2-CD1 4.16Å; Y168-L179 HydrophobicContact CE2-CB 4.23Å; Y168-L179 HydrophobicContact CE2-CD1 4.24Å; Y168-I190 HydrophobicContact CD1-CG2 3.63Å; Y168-I190 HydrophobicContact CE1-CB 3.96Å; Y168-I190 HydrophobicContact CE1-CD1 4.4Å; Y168-I190 HydrophobicContact CE1-CG2 3.38Å; Y168-I190 HydrophobicContact CE2-CD1 4.38Å; Y168-I190 HydrophobicContact CG-CG2 4.38Å; Y168-L191 HydrophobicContact CD1-CD2 4.35Å; Y168-L191 HydrophobicContact CE1-CD2 4.1Å; Y168-L191 HydrophobicContact CE1-CG 4.36Å; Y168-L194 HydrophobicContact CD1-CD1 3.84Å; Y168-L194 HydrophobicContact CG-CD1 4.47Å
169	L	95	Very high	95.6	Very high	54 Å²	54	58 Å²	58	28%	0.283	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-68.1	-26.3	178.9	-58.3	177.1	0	0	0	112.4	N166 R167 L191 L194	N166-L169 WeakPolarHBondContact O-CB 3.36Å; N166-L169 PolarHBondContact O-N 3.42Å; R167-L169 PolarHBondContact O-N 3.4Å; L169-L191 HydrophobicContact CD2-CD2 3.68Å; L169-L194 HydrophobicContact CD2-CB 4.35Å; L169-L194 HydrophobicContact CD2-CD1 3.92Å; L169-L194 HydrophobicContact CG-CD1 4.3Å
170	Y	94.4	Very high	95.5	Very high	202 Å²	202	56.4 Å²	56.4	79%	0.792	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-87.2	-7.7	179.7	-64.8	-82.3	0	0	0	113.9	N166 R167 Y168	N166-Y170 VanDerWaalsContact O-CD2 3.23Å; N166-Y170 WeakPolarHBondContact O-CD2 3.28Å; R167-Y170 PolarHBondContact O-N 3.26Å; R167-Y170 VanDerWaalsContact O-N 3.13Å; Y168-Y170 PolarHBondContact O-N 3.41Å
171	L	95.1	Very high	95.4	Very high	23 Å²	23	63 Å²	63	12%	0.12	31%	0.313	C	S	.	.	S	Bend	trans	-76.6	151.3	178.7	-62.8	178.9	0	0	0	111.8	L127 L131 Y168 E175 R176 L179	L127-L171 HydrophobicContact CD2-CD1 4.13Å; L131-L171 HydrophobicContact CD2-CD1 4.32Å; L131-L171 HydrophobicContact CD2-CD2 3.73Å; Y168-L171 HydrophobicContact CD2-CD1 4.14Å; Y168-L171 PolarHBondContact O-N 2.78Å; L171-E175 HydrophobicContact CB-CB 4.15Å; L171-R176 HydrophobicContact CB-CG 3.73Å; L171-R176 PolarHBondContact O-NE 3.22Å; L171-L179 HydrophobicContact CD1-CD1 3.29Å
172	S	96.2	Very high	95.1	Very high	56 Å²	56	69.2 Å²	69.2	39%	0.392	34%	0.339	S	S	.	.			trans	-63.3	157.8	173.3	69.3	0	0	0	0	111.2	M174 E175 R176	S172-M174 PolarHBondContact O-N 2.98Å; S172-E175 VanDerWaalsContact CB-OE2 3.29Å; S172-E175 WeakPolarHBondContact CB-OE2 3.38Å; S172-E175 PolarHBondContact N-OE2 2.85Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-E175 VanDerWaalsContact OG-CD 3.27Å; S172-E175 VanDerWaalsContact OG-CG 3.27Å; S172-E175 WeakPolarHBondContact OG-CG 3.44Å; S172-E175 PolarHBondContact OG-N 3.17Å; S172-E175 PolarHBondContact OG-OE2 2.75Å; S172-R176 WeakPolarHBondContact O-CB 3.21Å; S172-R176 WeakPolarHBondContact O-CG 3.41Å; S172-R176 PolarHBondContact O-N 2.88Å
173	T	95.3	Very high	95.1	Very high	97 Å²	97	68.5 Å²	68.5	60%	0.595	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-31.7	178.4	-57	0	0	0	0	112.7	R176 S177	T173-R176 PolarHBondContact OG1-NH2 2.82Å; T173-R176 VanDerWaalsContact OG1-NH2 3.14Å; T173-S177 WeakPolarHBondContact O-CB 3.42Å; T173-S177 PolarHBondContact O-N 3.44Å; T173-S177 VanDerWaalsContact O-N 3.13Å; T173-S177 PolarHBondContact O-OG 3.39Å
174	M	95.5	Very high	95	Very high	135 Å²	135	65.9 Å²	65.9	67%	0.665	33%	0.332	S	S	*	.	H	α-helix	trans	-67.6	-52.8	176.1	-173.6	167.7	174.6	0	0	111.1	S172 R176 S177 E178	S172-M174 PolarHBondContact O-N 2.98Å; M174-R176 VanDerWaalsContact C-N 3.34Å; M174-R176 PolarHBondContact O-N 3.05Å; M174-S177 WeakPolarHBondContact O-CB 3.27Å; M174-S177 PolarHBondContact O-N 3.16Å; M174-S177 VanDerWaalsContact O-N 3.1Å; M174-E178 PolarHBondContact O-N 3.22Å
175	E	94.8	Very high	94.9	Very high	87 Å²	87	67.1 Å²	67.1	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-41.9	178.3	-68.4	164.5	131.2	0	0	112.2	L171 S172 S177 E178 L179	L171-E175 HydrophobicContact CB-CB 4.15Å; S172-E175 VanDerWaalsContact CB-OE2 3.29Å; S172-E175 WeakPolarHBondContact CB-OE2 3.38Å; S172-E175 PolarHBondContact N-OE2 2.85Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-E175 VanDerWaalsContact OG-CD 3.27Å; S172-E175 VanDerWaalsContact OG-CG 3.27Å; S172-E175 WeakPolarHBondContact OG-CG 3.44Å; S172-E175 PolarHBondContact OG-N 3.17Å; S172-E175 PolarHBondContact OG-OE2 2.75Å; E175-S177 VanDerWaalsContact C-N 3.26Å; E175-S177 PolarHBondContact O-N 3.44Å; E175-E178 PolarHBondContact O-N 3.46Å; E175-L179 WeakPolarHBondContact O-CG 3.5Å; E175-L179 PolarHBondContact O-N 2.83Å
176	R	95.6	Very high	94.9	Very high	51 Å²	51	69.8 Å²	69.8	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-40.5	175.2	-76.1	-170.3	-68.4	-170.5	1.8	111.9	Y168 L171 S172 T173 M174 A180	Y168-R176 HydrophobicContact CD2-CG 4.25Å; Y168-R176 HydrophobicContact CE1-CB 4.44Å; Y168-R176 HydrophobicContact CE1-CG 4.07Å; Y168-R176 HydrophobicContact CE2-CB 3.97Å; Y168-R176 HydrophobicContact CE2-CG 3.8Å; Y168-R176 WeakPolarHBondContact O-CD 3.46Å; Y168-R176 WeakPolarHBondContact OH-CB 3.11Å; Y168-R176 PolarHBondContact OH-O 3.18Å; L171-R176 HydrophobicContact CB-CG 3.73Å; L171-R176 PolarHBondContact O-NE 3.22Å; S172-R176 WeakPolarHBondContact O-CB 3.21Å; S172-R176 WeakPolarHBondContact O-CG 3.41Å; S172-R176 PolarHBondContact O-N 2.88Å; T173-R176 PolarHBondContact OG1-NH2 2.82Å; T173-R176 VanDerWaalsContact OG1-NH2 3.14Å; M174-R176 VanDerWaalsContact C-N 3.34Å; M174-R176 PolarHBondContact O-N 3.05Å; R176-A180 VanDerWaalsContact O-CB 3.27Å; R176-A180 WeakPolarHBondContact O-CB 3.39Å; R176-A180 PolarHBondContact O-N 3.28Å
177	S	95.5	Very high	94.9	Very high	36 Å²	36	69 Å²	69	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-69.2	-40.9	178.6	-62.4	0	0	0	0	112.4	T173 M174 E175 A180 K181	T173-S177 WeakPolarHBondContact O-CB 3.42Å; T173-S177 PolarHBondContact O-N 3.44Å; T173-S177 VanDerWaalsContact O-N 3.13Å; T173-S177 PolarHBondContact O-OG 3.39Å; M174-S177 WeakPolarHBondContact O-CB 3.27Å; M174-S177 PolarHBondContact O-N 3.16Å; M174-S177 VanDerWaalsContact O-N 3.1Å; E175-S177 VanDerWaalsContact C-N 3.26Å; E175-S177 PolarHBondContact O-N 3.44Å; S177-A180 PolarHBondContact O-N 2.89Å; S177-K181 WeakPolarHBondContact O-CB 3.27Å; S177-K181 VanDerWaalsContact O-CG 3.26Å; S177-K181 WeakPolarHBondContact O-CG 3.26Å; S177-K181 PolarHBondContact O-N 3.29Å
178	E	94.8	Very high	94.9	Very high	102 Å²	102	70.9 Å²	70.9	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-45.5	176.5	-70.2	179.7	177.3	0	0	111.8	M174 E175 K181 K182	M174-E178 PolarHBondContact O-N 3.22Å; E175-E178 PolarHBondContact O-N 3.46Å; E178-K181 PolarHBondContact O-N 2.86Å; E178-K182 PolarHBondContact O-N 3.4Å
179	L	94.9	Very high	94.9	Very high	7 Å²	7	74.3 Å²	74.3	4%	0.037	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-45.8	175.8	-75.1	172.6	0	0	0	111.9	A126 L127 M130 Y168 L171 E175 K181 K182 I183	A126-L179 HydrophobicContact CB-CD2 4.02Å; L127-L179 HydrophobicContact CD2-CD1 3.91Å; M130-L179 HydrophobicContact CB-CD2 4.22Å; M130-L179 HydrophobicContact CE-CD2 4.01Å; M130-L179 HydrophobicContact CG-CD2 4.34Å; M130-L179 HydrophobicContact SD-CD2 3.42Å; M130-L179 WeakPolarHBondContact SD-CD2 3.33Å; Y168-L179 HydrophobicContact CD2-CD1 4.16Å; Y168-L179 HydrophobicContact CE2-CB 4.23Å; Y168-L179 HydrophobicContact CE2-CD1 4.24Å; L171-L179 HydrophobicContact CD1-CD1 3.29Å; E175-L179 WeakPolarHBondContact O-CG 3.5Å; E175-L179 PolarHBondContact O-N 2.83Å; L179-K181 PolarHBondContact O-N 3.14Å; L179-K182 PolarHBondContact O-N 3.21Å; L179-I183 PolarHBondContact O-N 3.26Å
180	A	95	Very high	94.9	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-44.6	179.3	0	0	0	0	0	111.7	R176 S177 K182 I183 G184 T185 P187 I190	R176-A180 VanDerWaalsContact O-CB 3.27Å; R176-A180 WeakPolarHBondContact O-CB 3.39Å; R176-A180 PolarHBondContact O-N 3.28Å; S177-A180 PolarHBondContact O-N 2.89Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 2.78Å; A180-I183 VanDerWaalsContact O-CG1 3.28Å; A180-I183 WeakPolarHBondContact O-CG1 3.19Å; A180-I183 PolarHBondContact O-N 3.5Å; A180-G184 PolarHBondContact O-N 2.78Å; A180-G184 VanDerWaalsContact O-N 3.14Å; A180-T185 CarbonylContact C-O 3.56Å; A180-T185 VanDerWaalsContact C-O 3.23Å; A180-T185 PolarHBondContact O-N 3.25Å; A180-P187 HydrophobicContact CB-CB 4.47Å; A180-P187 HydrophobicContact CB-CG 3.71Å; A180-I190 HydrophobicContact CB-CD1 3.91Å
181	K	94.6	Very high	95	Very high	166 Å²	166	63.8 Å²	63.8	72%	0.722	35%	0.345	S	S	*	.	H	α-helix	trans	-58.8	-43.3	174.9	-76.1	173.7	-177	178.3	0	111.7	S177 E178 L179 I183 G184	S177-K181 WeakPolarHBondContact O-CB 3.27Å; S177-K181 VanDerWaalsContact O-CG 3.26Å; S177-K181 WeakPolarHBondContact O-CG 3.26Å; S177-K181 PolarHBondContact O-N 3.29Å; E178-K181 PolarHBondContact O-N 2.86Å; L179-K181 PolarHBondContact O-N 3.14Å; K181-I183 VanDerWaalsContact C-N 3.29Å; K181-I183 PolarHBondContact O-N 3.4Å; K181-G184 PolarHBondContact O-N 2.79Å; K181-G184 VanDerWaalsContact O-N 3.08Å
182	K	92	Very high	94.9	Very high	142 Å²	142	66.7 Å²	66.7	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-63.9	-33.3	-178.7	-165.5	174.8	-176.6	176.6	0	113	M130 E178 L179 A180	M130-K182 HydrophobicContact CE-CD 4.34Å; M130-K182 HydrophobicContact SD-CD 3.62Å; M130-K182 PolarHBondContact SD-NZ 2.72Å; E178-K182 PolarHBondContact O-N 3.4Å; L179-K182 PolarHBondContact O-N 3.21Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 2.78Å
183	I	93.4	Very high	94.8	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.128	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1.2	176.2	69.1	171.4	0	0	0	113.4	M122 L123 A126 L179 A180 K181 T185 I190	M122-I183 HydrophobicContact CB-CB 4.22Å; M122-I183 HydrophobicContact CB-CG2 4.22Å; L123-I183 HydrophobicContact CB-CD1 4.04Å; L123-I183 HydrophobicContact CD1-CD1 4.44Å; A126-I183 HydrophobicContact CB-CG2 4.07Å; L179-I183 PolarHBondContact O-N 3.26Å; A180-I183 VanDerWaalsContact O-CG1 3.28Å; A180-I183 WeakPolarHBondContact O-CG1 3.19Å; A180-I183 PolarHBondContact O-N 3.5Å; K181-I183 VanDerWaalsContact C-N 3.29Å; K181-I183 PolarHBondContact O-N 3.4Å; I183-T185 HydrophobicContact CD1-CG2 4.24Å; I183-T185 WeakPolarHBondContact CD1-OG1 3.45Å; I183-T185 HydrophobicContact CG1-CG2 4.07Å; I183-T185 WeakPolarHBondContact CG1-OG1 3.35Å; I183-I190 HydrophobicContact CD1-CD1 3.79Å
184	G	93.3	Very high	94.8	Very high	69 Å²	69	60.7 Å²	60.7	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	35.4	178.8	0	0	0	0	0	114.1	A180 K181	A180-G184 PolarHBondContact O-N 2.78Å; A180-G184 VanDerWaalsContact O-N 3.14Å; K181-G184 PolarHBondContact O-N 2.79Å; K181-G184 VanDerWaalsContact O-N 3.08Å
185	T	95	Very high	94.6	Very high	30 Å²	30	58.8 Å²	58.8	18%	0.184	31%	0.312	C	S	.	.	S	Bend	trans	-135.7	176.9	179.4	71.3	0	0	0	0	111.4	R119 A180 I183	R119-T185 HydrophobicContact CG-CG2 4.17Å; A180-T185 CarbonylContact C-O 3.56Å; A180-T185 VanDerWaalsContact C-O 3.23Å; A180-T185 PolarHBondContact O-N 3.25Å; I183-T185 HydrophobicContact CD1-CG2 4.24Å; I183-T185 WeakPolarHBondContact CD1-OG1 3.45Å; I183-T185 HydrophobicContact CG1-CG2 4.07Å; I183-T185 WeakPolarHBondContact CG1-OG1 3.35Å
186	T	95.6	Very high	94.4	Very high	64 Å²	64	56 Å²	56	39%	0.393	30%	0.299	S	S	.	.			trans	-102.4	148.2	172.8	62.1	0	0	0	0	110.8	D188 I189 I190	T186-D188 PolarHBondContact O-N 2.78Å; T186-I189 PolarHBondContact O-N 2.87Å; T186-I189 VanDerWaalsContact OG1-CD1 3.29Å; T186-I189 WeakPolarHBondContact OG1-CD1 3.23Å; T186-I189 VanDerWaalsContact OG1-CG1 3.25Å; T186-I189 WeakPolarHBondContact OG1-CG1 3.39Å; T186-I190 PolarHBondContact O-N 3.42Å
187	P	95.6	Very high	94.2	Very high	29 Å²	29	54.7 Å²	54.7	19%	0.188	30%	0.297	C	S	.	.	H	α-helix	trans	-54.1	-39.5	175.2	-27	36.1	0	0	0	112.7	A180 I189 I190 L191	A180-P187 HydrophobicContact CB-CB 4.47Å; A180-P187 HydrophobicContact CB-CG 3.71Å; P187-I189 VanDerWaalsContact C-N 3.33Å; P187-I189 PolarHBondContact O-N 2.81Å; P187-I190 WeakPolarHBondContact O-CB 3.35Å; P187-I190 PolarHBondContact O-N 3.38Å; P187-I190 VanDerWaalsContact O-N 3.14Å; P187-L191 WeakPolarHBondContact O-CG 3.47Å; P187-L191 PolarHBondContact O-N 2.93Å
188	D	95.6	Very high	93.9	Very high	113 Å²	113	56.1 Å²	56.1	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-60.2	-41.5	-178.7	-54.2	-39.1	0	0	0	112.2	T186 I190 L191 D192	T186-D188 PolarHBondContact O-N 2.78Å; D188-I190 VanDerWaalsContact C-N 3.32Å; D188-I190 PolarHBondContact O-N 3.46Å; D188-L191 PolarHBondContact O-N 2.66Å; D188-D192 WeakPolarHBondContact O-CB 3.46Å; D188-D192 PolarHBondContact O-N 3.3Å
189	I	95.4	Very high	93.7	Very high	73 Å²	73	55.2 Å²	55.2	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-39.4	178.3	-68	168.7	0	0	0	110.9	T186 P187 D193	T186-I189 PolarHBondContact O-N 2.87Å; T186-I189 VanDerWaalsContact OG1-CD1 3.29Å; T186-I189 WeakPolarHBondContact OG1-CD1 3.23Å; T186-I189 VanDerWaalsContact OG1-CG1 3.25Å; T186-I189 WeakPolarHBondContact OG1-CG1 3.39Å; P187-I189 VanDerWaalsContact C-N 3.33Å; P187-I189 PolarHBondContact O-N 2.81Å; I189-D193 PolarHBondContact O-N 3.18Å; I189-D193 VanDerWaalsContact O-N 3.15Å
190	I	95.6	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-46.5	178.6	-62.1	170.8	0	0	0	110	L123 Y168 A180 I183 T186 P187 D188 D192 D193 L194	L123-I190 HydrophobicContact CD1-CD1 4.47Å; L123-I190 HydrophobicContact CD2-CG2 3.4Å; L123-I190 VanDerWaalsContact CD2-CG2 3.4Å; Y168-I190 HydrophobicContact CD1-CG2 3.63Å; Y168-I190 HydrophobicContact CE1-CB 3.96Å; Y168-I190 HydrophobicContact CE1-CD1 4.4Å; Y168-I190 HydrophobicContact CE1-CG2 3.38Å; Y168-I190 HydrophobicContact CE2-CD1 4.38Å; Y168-I190 HydrophobicContact CG-CG2 4.38Å; A180-I190 HydrophobicContact CB-CD1 3.91Å; I183-I190 HydrophobicContact CD1-CD1 3.79Å; T186-I190 PolarHBondContact O-N 3.42Å; P187-I190 WeakPolarHBondContact O-CB 3.35Å; P187-I190 PolarHBondContact O-N 3.38Å; P187-I190 VanDerWaalsContact O-N 3.14Å; D188-I190 VanDerWaalsContact C-N 3.32Å; D188-I190 PolarHBondContact O-N 3.46Å; I190-D192 VanDerWaalsContact C-N 3.33Å; I190-D192 PolarHBondContact O-N 3.42Å; I190-D193 PolarHBondContact O-N 3.28Å; I190-L194 HydrophobicContact CG2-CD1 3.94Å; I190-L194 HydrophobicContact CG2-CG 4.39Å; I190-L194 WeakPolarHBondContact O-CG 3.5Å; I190-L194 PolarHBondContact O-N 3.33Å
191	L	95.6	Very high	93.2	Very high	35 Å²	35	55.8 Å²	55.8	18%	0.183	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-43.9	178	-69.6	173.8	0	0	0	110.9	Y168 L169 P187 D188 D193 L194 L195	Y168-L191 HydrophobicContact CD1-CD2 4.35Å; Y168-L191 HydrophobicContact CE1-CD2 4.1Å; Y168-L191 HydrophobicContact CE1-CG 4.36Å; L169-L191 HydrophobicContact CD2-CD2 3.68Å; P187-L191 WeakPolarHBondContact O-CG 3.47Å; P187-L191 PolarHBondContact O-N 2.93Å; D188-L191 PolarHBondContact O-N 2.66Å; L191-D193 VanDerWaalsContact C-N 3.29Å; L191-D193 PolarHBondContact O-N 3.02Å; L191-L194 PolarHBondContact O-N 3.06Å; L191-L195 VanDerWaalsContact O-CB 3.29Å; L191-L195 WeakPolarHBondContact O-CB 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.39Å; L191-L195 PolarHBondContact O-N 2.93Å
192	D	93.8	Very high	92.9	Very high	83 Å²	83	50.5 Å²	50.5	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-55.6	-43.3	175	-103.3	31.5	0	0	0	112.1	K87 D188 I190 E196	K87-D192 IonicContact NZ-OD2 3.54Å; K87-D192 PolarHBondContact NZ-OD2 2.82Å; D188-D192 WeakPolarHBondContact O-CB 3.46Å; D188-D192 PolarHBondContact O-N 3.3Å; I190-D192 VanDerWaalsContact C-N 3.33Å; I190-D192 PolarHBondContact O-N 3.42Å; D192-E196 WeakPolarHBondContact O-CB 3.38Å; D192-E196 PolarHBondContact O-N 2.82Å
193	D	93.8	Very high	92.6	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-45.3	178.4	-70.8	-31.1	0	0	0	112.6	T116 R119 L120 I189 I190 L191 E196 T197	T116-D193 HydrophobicContact CG2-CB 4.08Å; R119-D193 IonicContact CZ-OD1 2.75Å; R119-D193 IonicContact CZ-OD2 2.67Å; R119-D193 IonicContact NE-OD2 3.79Å; R119-D193 PolarHBondContact NE-OD2 2.87Å; R119-D193 IonicContact NH2-OD1 2.84Å; R119-D193 PolarHBondContact NH2-OD1 2.87Å; R119-D193 IonicContact NH2-OD2 2.65Å; R119-D193 PolarHBondContact NH2-OD2 3.16Å; L120-D193 HydrophobicContact CD1-CB 4.45Å; L120-D193 HydrophobicContact CD2-CB 4.21Å; I189-D193 PolarHBondContact O-N 3.18Å; I189-D193 VanDerWaalsContact O-N 3.15Å; I190-D193 PolarHBondContact O-N 3.28Å; L191-D193 VanDerWaalsContact C-N 3.29Å; L191-D193 PolarHBondContact O-N 3.02Å; D193-E196 PolarHBondContact O-N 3.01Å; D193-T197 WeakPolarHBondContact O-CG2 3.29Å; D193-T197 PolarHBondContact O-N 3.44Å; D193-T197 VanDerWaalsContact O-N 3.1Å
194	L	94.5	Very high	92.1	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-47	-177.6	-67.3	175.4	0	0	0	111	L120 L165 Y168 L169 I190 L191 E196 T197 D198	L120-L194 HydrophobicContact CD2-CD2 4.02Å; L120-L194 HydrophobicContact CD2-CG 4.39Å; L165-L194 HydrophobicContact CB-CD2 3.99Å; L165-L194 HydrophobicContact CD1-CD2 4.46Å; Y168-L194 HydrophobicContact CD1-CD1 3.84Å; Y168-L194 HydrophobicContact CG-CD1 4.47Å; L169-L194 HydrophobicContact CD2-CB 4.35Å; L169-L194 HydrophobicContact CD2-CD1 3.92Å; L169-L194 HydrophobicContact CG-CD1 4.3Å; I190-L194 HydrophobicContact CG2-CD1 3.94Å; I190-L194 HydrophobicContact CG2-CG 4.39Å; I190-L194 WeakPolarHBondContact O-CG 3.5Å; I190-L194 PolarHBondContact O-N 3.33Å; L191-L194 PolarHBondContact O-N 3.06Å; L194-E196 VanDerWaalsContact C-N 3.27Å; L194-E196 PolarHBondContact O-N 3.28Å; L194-T197 PolarHBondContact O-N 3.13Å; L194-T197 VanDerWaalsContact O-N 3.08Å; L194-T197 PolarHBondContact O-OG1 2.81Å; L194-D198 PolarHBondContact O-N 2.85Å; L194-D198 VanDerWaalsContact O-N 3.1Å
195	L	92.4	Very high	92.1	Very high	96 Å²	96	53.6 Å²	53.6	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-34.3	177.9	-66.2	174.7	0	0	0	111.7	L191 T197 D198 R199	L191-L195 VanDerWaalsContact O-CB 3.29Å; L191-L195 WeakPolarHBondContact O-CB 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.39Å; L191-L195 PolarHBondContact O-N 2.93Å; L195-T197 VanDerWaalsContact C-N 3.34Å; L195-D198 PolarHBondContact O-N 3.3Å; L195-R199 WeakPolarHBondContact O-CB 3.18Å; L195-R199 PolarHBondContact O-N 2.89Å
196	E	90.1	Very high	91.9	Very high	27 Å²	27	54.8 Å²	54.8	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-38.1	173.5	-177.2	65.4	-174.8	0	0	111.5	W91 D192 D193 L194 R199 V200	W91-E196 HydrophobicContact CZ2-CG 4.18Å; W91-E196 PolarHBondContact NE1-OE1 2.9Å; D192-E196 WeakPolarHBondContact O-CB 3.38Å; D192-E196 PolarHBondContact O-N 2.82Å; D193-E196 PolarHBondContact O-N 3.01Å; L194-E196 VanDerWaalsContact C-N 3.27Å; L194-E196 PolarHBondContact O-N 3.28Å; E196-R199 VanDerWaalsContact CD-NH2 3.34Å; E196-R199 PolarHBondContact O-N 2.97Å; E196-R199 IonicContact OE1-CZ 2.78Å; E196-R199 IonicContact OE1-NE 3.14Å; E196-R199 IonicContact OE1-NH2 3.44Å; E196-R199 PolarHBondContact OE1-NH2 3.44Å; E196-R199 IonicContact OE2-CZ 3.73Å; E196-R199 IonicContact OE2-NE 3.84Å; E196-R199 PolarHBondContact OE2-NE 3.46Å; E196-R199 IonicContact OE2-NH2 2.77Å; E196-R199 PolarHBondContact OE2-NH2 3.22Å; E196-R199 VanDerWaalsContact OE2-NH2 3.14Å; E196-V200 HydrophobicContact CG-CG2 4.35Å; E196-V200 WeakPolarHBondContact O-CB 3.38Å; E196-V200 WeakPolarHBondContact O-CG2 3.49Å; E196-V200 PolarHBondContact O-N 3.22Å
197	T	90.9	Very high	91.7	Very high	24 Å²	24	54.3 Å²	54.3	15%	0.147	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-39	174.9	52.6	0	0	0	0	112.8	L110 M112 D193 L194 L195 T201	L110-T197 HydrophobicContact CD2-CG2 3.69Å; M112-T197 HydrophobicContact CE-CG2 3.34Å; D193-T197 WeakPolarHBondContact O-CG2 3.29Å; D193-T197 PolarHBondContact O-N 3.44Å; D193-T197 VanDerWaalsContact O-N 3.1Å; L194-T197 PolarHBondContact O-N 3.13Å; L194-T197 VanDerWaalsContact O-N 3.08Å; L194-T197 PolarHBondContact O-OG1 2.81Å; L195-T197 VanDerWaalsContact C-N 3.34Å; T197-T201 WeakPolarHBondContact O-CB 3.4Å; T197-T201 VanDerWaalsContact O-CG2 3.25Å; T197-T201 WeakPolarHBondContact O-CG2 3.22Å; T197-T201 PolarHBondContact O-N 3.24Å; T197-T201 PolarHBondContact O-OG1 3.27Å
198	D	90.8	Very high	91.5	Very high	67 Å²	67	55.8 Å²	55.8	36%	0.358	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-44.7	176.2	-67.3	-22.2	0	0	0	111.2	L194 L195 V200 T201 A202	L194-D198 PolarHBondContact O-N 2.85Å; L194-D198 VanDerWaalsContact O-N 3.1Å; L195-D198 PolarHBondContact O-N 3.3Å; D198-V200 VanDerWaalsContact C-N 3.34Å; D198-V200 PolarHBondContact O-N 2.92Å; D198-T201 PolarHBondContact O-N 3.13Å; D198-T201 PolarHBondContact O-OG1 3.05Å; D198-A202 PolarHBondContact O-N 3.35Å; D198-A202 VanDerWaalsContact O-N 3.13Å
199	R	89.3	Confident	91.2	Very high	82 Å²	82	52.2 Å²	52.2	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-44.7	178.6	-170.6	-177.7	73.8	93.8	4.9	112.3	E82 L195 E196 T201	E82-R199 IonicContact OE2-NH1 3.16Å; E82-R199 PolarHBondContact OE2-NH1 3.03Å; L195-R199 WeakPolarHBondContact O-CB 3.18Å; L195-R199 PolarHBondContact O-N 2.89Å; E196-R199 VanDerWaalsContact CD-NH2 3.34Å; E196-R199 PolarHBondContact O-N 2.97Å; E196-R199 IonicContact OE1-CZ 2.78Å; E196-R199 IonicContact OE1-NE 3.14Å; E196-R199 IonicContact OE1-NH2 3.44Å; E196-R199 PolarHBondContact OE1-NH2 3.44Å; E196-R199 IonicContact OE2-CZ 3.73Å; E196-R199 IonicContact OE2-NE 3.84Å; E196-R199 PolarHBondContact OE2-NE 3.46Å; E196-R199 IonicContact OE2-NH2 2.77Å; E196-R199 PolarHBondContact OE2-NH2 3.22Å; E196-R199 VanDerWaalsContact OE2-NH2 3.14Å; R199-T201 VanDerWaalsContact C-N 3.29Å; R199-T201 PolarHBondContact O-N 3.15Å
200	V	89.5	Confident	90.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.6	-27.2	-177.4	173.2	0	0	0	0	112.1	C77 R78 W91 I96 L110 E196 D198	C77-V200 HydrophobicContact CB-CG1 3.47Å; C77-V200 VanDerWaalsContact CB-CG1 3.47Å; R78-V200 PolarHBondContact N-O 3.45Å; R78-V200 VanDerWaalsContact N-O 3.16Å; R78-V200 WeakPolarHBondContact O-CG2 3.32Å; W91-V200 HydrophobicContact CD2-CG1 4.19Å; W91-V200 HydrophobicContact CD2-CG2 4.02Å; W91-V200 HydrophobicContact CE3-CG1 4.22Å; W91-V200 HydrophobicContact CG-CG1 4.44Å; W91-V200 HydrophobicContact CG-CG2 4.05Å; W91-V200 HydrophobicContact CZ2-CG2 4.36Å; I96-V200 WeakPolarHBondContact CD1-O 3.47Å; L110-V200 HydrophobicContact CD1-CG1 4.06Å; E196-V200 HydrophobicContact CG-CG2 4.35Å; E196-V200 WeakPolarHBondContact O-CB 3.38Å; E196-V200 WeakPolarHBondContact O-CG2 3.49Å; E196-V200 PolarHBondContact O-N 3.22Å; D198-V200 VanDerWaalsContact C-N 3.34Å; D198-V200 PolarHBondContact O-N 2.92Å
201	T	90.7	Very high	90.6	Very high	20 Å²	20	54.4 Å²	54.4	12%	0.123	28%	0.277	C	S	.	.	H	α-helix	trans	-95.6	-7.3	-175.5	56.2	0	0	0	0	114.3	I96 W98 L108 L110 T197 D198 R199 H203	I96-T201 HydrophobicContact CD1-CG2 3.88Å; I96-T201 HydrophobicContact CG1-CG2 4.47Å; W98-T201 WeakPolarHBondContact CH2-O 3.38Å; W98-T201 WeakPolarHBondContact CZ2-O 3.42Å; L108-T201 HydrophobicContact CD1-CG2 3.9Å; L108-T201 HydrophobicContact CD2-CG2 3.83Å; L110-T201 HydrophobicContact CD1-CG2 4.26Å; L110-T201 HydrophobicContact CD2-CG2 4.12Å; T197-T201 WeakPolarHBondContact O-CB 3.4Å; T197-T201 VanDerWaalsContact O-CG2 3.25Å; T197-T201 WeakPolarHBondContact O-CG2 3.22Å; T197-T201 PolarHBondContact O-N 3.24Å; T197-T201 PolarHBondContact O-OG1 3.27Å; D198-T201 PolarHBondContact O-N 3.13Å; D198-T201 PolarHBondContact O-OG1 3.05Å; R199-T201 VanDerWaalsContact C-N 3.29Å; R199-T201 PolarHBondContact O-N 3.15Å; T201-H203 VanDerWaalsContact C-N 3.27Å; T201-H203 PolarHBondContact O-N 3.08Å
202	A	88.6	Confident	90.2	Very high	54 Å²	54	55.9 Å²	55.9	45%	0.446	28%	0.284	S	S	.	.			trans	-68.8	71.4	-179.8	0	0	0	0	0	113.4	R78 D198	R78-A202 WeakPolarHBondContact CD-O 3.42Å; R78-A202 PolarHBondContact NE-O 2.67Å; R78-A202 PolarHBondContact NH1-O 3Å; R78-A202 PolarHBondContact NH2-O 2.86Å; D198-A202 PolarHBondContact O-N 3.35Å; D198-A202 VanDerWaalsContact O-N 3.13Å
203	H	85.6	Confident	89.9	Confident	36 Å²	36	53.7 Å²	53.7	17%	0.167	27%	0.271	C	S	.	.			trans	-95.5	-38.3	-176	-84.6	-83.3	0	0	0	115.5	T75 P76 R78 W98 T201	T75-H203 PolarHBondContact OG1-NE2 3.29Å; P76-H203 PolarHBondContact O-CE1 3.48Å; P76-H203 PolarHBondContact O-NE2 3.16Å; R78-H203 PolarHBondContact NH2-O 3.23Å; W98-H203 HydrophobicContact CZ2-CB 4.1Å; T201-H203 VanDerWaalsContact C-N 3.27Å; T201-H203 PolarHBondContact O-N 3.08Å
204	F	82.8	Confident	89.6	Confident	211 Å²	211	56.4 Å²	56.4	93%	0.925	28%	0.284	S	S	*	.			trans	-120.2	0	-171.9	-56.4	-71.5	0	0	0	110.3	W73 T75 W98	W73-F204 AromaticContact NE1-CE2 3.92Å; T75-F204 HydrophobicContact CG2-CZ 4.39Å; W98-F204 HydrophobicContact CD2-CE2 4.43Å; W98-F204 HydrophobicContact CH2-CD2 4.43Å; W98-F204 HydrophobicContact CZ2-CD2 4.39Å; W98-F204 HydrophobicContact CZ2-CE2 4.34Å

Retrieved 204 of 204 residues in 197.4 ms (Link to these results)

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