A0A077Z787_TRITR Loading...

STING ER exit protein

AlphaFold DB , UniProt , Accession A0A077Z787, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 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	36.4	Very low	38.2	Very low	239 Å²	239	143.6 Å²	143.6	100%	1.177	82%	0.819	S	S	*	*				0	95.1	0	-169.8	166.9	115.5	0	0	107.7
2	V	27.4	Very low	39.2	Very low	136 Å²	136	145.3 Å²	145.3	82%	0.824	82%	0.823	S	S	*	*			trans	-101.1	116	-179.6	-177.2	0	0	0	0	107.3	V4	V2-V4 HydrophobicContact CG1-CG2 4.31Å
3	C	29.4	Very low	40.4	Very low	125 Å²	125	145.1 Å²	145.1	85%	0.845	83%	0.827	S	S	*	*			trans	-95.5	101.3	-180	-155.4	0	0	0	0	108
4	V	32.2	Very low	41.4	Very low	117 Å²	117	139.9 Å²	139.9	71%	0.709	81%	0.811	S	S	*	*			trans	-84.5	114.2	174.9	-178.9	0	0	0	0	108.3	V2 V6	V2-V4 HydrophobicContact CG1-CG2 4.31Å; V4-V6 HydrophobicContact CG1-CG2 4.42Å; V4-V6 PolarHBondContact O-N 3.08Å
5	K	33	Very low	42	Very low	170 Å²	170	142 Å²	142	74%	0.739	81%	0.81	S	S	*	*			trans	-81.9	100.5	174.4	-171.1	165.1	-175.5	168.7	0	108.7	M7	K5-M7 HydrophobicContact CD-CE 4.14Å; K5-M7 HydrophobicContact CG-CG 4.39Å; K5-M7 PolarHBondContact O-N 3.5Å
6	V	39.8	Very low	42.7	Very low	125 Å²	125	147.2 Å²	147.2	76%	0.758	82%	0.815	S	S	*	*			trans	-80.1	105.1	169.4	-172.7	0	0	0	0	107.5	V4	V4-V6 HydrophobicContact CG1-CG2 4.42Å; V4-V6 PolarHBondContact O-N 3.08Å
7	M	37.7	Very low	43.3	Very low	146 Å²	146	143.6 Å²	143.6	72%	0.719	80%	0.798	S	S	*	*			trans	-82.6	105.6	164	-66.5	-170.1	168.1	0	0	106.8	K5	K5-M7 HydrophobicContact CD-CE 4.14Å; K5-M7 HydrophobicContact CG-CG 4.39Å; K5-M7 PolarHBondContact O-N 3.5Å
8	A	43.3	Very low	44.3	Very low	89 Å²	89	144.8 Å²	144.8	74%	0.736	80%	0.803	S	S	*	*			trans	-93.3	120.9	168.1	0	0	0	0	0	107.4	A10	A8-A10 PolarHBondContact O-N 2.85Å
9	D	46	Very low	45.5	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	79%	0.786	S	S	*	*			trans	-51.9	129.8	-177.5	-75.7	-48.4	0	0	0	112.3	Q11	D9-Q11 VanDerWaalsContact C-N 3.29Å; D9-Q11 PolarHBondContact O-N 3.31Å; D9-Q11 VanDerWaalsContact O-N 3.13Å
10	A	46	Very low	47.5	Very low	104 Å²	104	141.4 Å²	141.4	86%	0.86	78%	0.779	S	S	*	*	S	Bend	trans	-84.4	67.6	175.6	0	0	0	0	0	110.3	A8	A8-A10 PolarHBondContact O-N 2.85Å
11	Q	49.2	Very low	49.6	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	77%	0.769	S	S	*	*			trans	-146.4	74.1	171.3	-78.7	-177.2	-8.9	0	0	109.8	D9	D9-Q11 VanDerWaalsContact C-N 3.29Å; D9-Q11 PolarHBondContact O-N 3.31Å; D9-Q11 VanDerWaalsContact O-N 3.13Å
12	D	50.6	Low	52.3	Low	163 Å²	163	131.4 Å²	131.4	87%	0.872	73%	0.726	S	S	*	*			trans	-171.3	58.1	155.8	-94	-26.2	0	0	0	109.2	A14	D12-A14 VanDerWaalsContact C-N 3.32Å
13	V	54	Low	55.5	Low	143 Å²	143	126.7 Å²	126.7	87%	0.867	70%	0.7	S	S	*	*			trans	-96	75.2	159.1	-175.2	0	0	0	0	105.9	E15	V13-E15 PolarHBondContact O-N 2.83Å; V13-E15 VanDerWaalsContact O-N 3.07Å
14	A	54.7	Low	58.7	Low	73 Å²	73	121.7 Å²	121.7	60%	0.603	66%	0.663	S	S	*	*			trans	-62.6	110.1	160.2	0	0	0	0	0	106.1	D12 Y16	D12-A14 VanDerWaalsContact C-N 3.32Å; A14-Y16 VanDerWaalsContact C-N 3.32Å; A14-Y16 WeakPolarHBondContact O-CD2 3.36Å; A14-Y16 PolarHBondContact O-N 2.94Å
15	E	50.6	Low	61.8	Low	171 Å²	171	119.4 Å²	119.4	80%	0.799	64%	0.642	S	S	*	*			trans	-58.8	94.7	177.2	-162.1	170.1	-152.8	0	0	107.9	V13 T17	V13-E15 PolarHBondContact O-N 2.83Å; V13-E15 VanDerWaalsContact O-N 3.07Å; E15-T17 PolarHBondContact O-N 3.39Å
16	Y	53.3	Low	64.8	Low	225 Å²	225	111.4 Å²	111.4	88%	0.882	61%	0.608	S	S	*	*			trans	-65.3	80.3	170.1	-84.9	-90.6	0	0	0	107.3	A14 D18	A14-Y16 VanDerWaalsContact C-N 3.32Å; A14-Y16 WeakPolarHBondContact O-CD2 3.36Å; A14-Y16 PolarHBondContact O-N 2.94Å; Y16-D18 PolarHBondContact O-N 3.16Å
17	T	53.3	Low	67.4	Low	87 Å²	87	112.7 Å²	112.7	53%	0.534	60%	0.603	S	S	.	*			trans	-59	127.1	163.1	-51.1	0	0	0	0	105.8	E15 R19	E15-T17 PolarHBondContact O-N 3.39Å; T17-R19 HydrophobicContact CG2-CG 4.17Å; T17-R19 PolarHBondContact O-N 3.03Å
18	D	60.9	Low	70.1	Confident	165 Å²	165	107.6 Å²	107.6	88%	0.882	58%	0.581	S	S	*	*			trans	-65.9	64.6	-178.7	-163.2	11.2	0	0	0	111.1	Y16 S20	Y16-D18 PolarHBondContact O-N 3.16Å; D18-S20 PolarHBondContact O-N 3.1Å
19	R	67.7	Low	72.5	Confident	131 Å²	131	105.3 Å²	105.3	49%	0.494	57%	0.567	S	S	.	*			trans	-79.8	107.9	178.7	-64.1	-173.8	-170.6	179.7	4.7	107.3	T17 L21 D36	T17-R19 HydrophobicContact CG2-CG 4.17Å; T17-R19 PolarHBondContact O-N 3.03Å; R19-L21 PolarHBondContact O-N 3.27Å; R19-D36 HydrophobicContact CB-CB 4.32Å; R19-D36 IonicContact CZ-OD2 3.79Å; R19-D36 IonicContact NH1-OD2 2.83Å; R19-D36 PolarHBondContact NH1-OD2 3.26Å
20	S	84.3	Confident	74.8	Confident	90 Å²	90	101.3 Å²	101.3	63%	0.629	54%	0.543	S	S	*	.			trans	-65.1	115.9	174.8	51.1	0	0	0	0	110.4	D18	D18-S20 PolarHBondContact O-N 3.1Å
21	L	91.6	Very high	77.2	Confident	110 Å²	110	98.6 Å²	98.6	58%	0.576	51%	0.513	S	S	*	.			trans	-69.4	131.9	176.8	-63.8	177.9	0	0	0	110.5	R19 I34 D36	R19-L21 PolarHBondContact O-N 3.27Å; L21-I34 HydrophobicContact CB-CG2 3.97Å; L21-I34 HydrophobicContact CD1-CG2 4.25Å; L21-I34 HydrophobicContact CG-CG2 4.49Å; L21-D36 HydrophobicContact CD2-CB 3.97Å
22	Q	93.2	Very high	79.5	Confident	61 Å²	61	90.4 Å²	90.4	29%	0.285	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.4	179.9	-60.6	-176.1	7.4	0	0	110.4	Y24 I34 L35 T38	Q22-Y24 HydrophobicContact CB-CE2 3.72Å; Q22-Y24 PolarHBondContact OE1-OH 3.06Å; Q22-I34 CarbonylContact O-C 3.59Å; Q22-I34 WeakPolarHBondContact O-CA 3.32Å; Q22-L35 PolarHBondContact N-O 3.33Å; Q22-L35 PolarHBondContact O-N 3.32Å; Q22-T38 VanDerWaalsContact NE2-CG2 3.29Å
23	S	95	Very high	81.7	Confident	37 Å²	37	82.7 Å²	82.7	26%	0.259	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.4	178.7	-62.5	0	0	0	0	111.3
24	Y	96.7	Very high	83.7	Confident	20 Å²	20	77.7 Å²	77.7	8%	0.078	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	179.6	-62.3	-87.4	0	0	0	110.5	Q22 A32 L33 L35 T38 I39 L112	Q22-Y24 HydrophobicContact CB-CE2 3.72Å; Q22-Y24 PolarHBondContact OE1-OH 3.06Å; Y24-A32 PolarHBondContact O-N 2.75Å; Y24-L33 HydrophobicContact CD2-CD2 4.2Å; Y24-L33 HydrophobicContact CD2-CG 4.32Å; Y24-L33 PolarHBondContact N-O 3.37Å; Y24-L33 PolarHBondContact O-N 3.46Å; Y24-L33 VanDerWaalsContact O-N 3.15Å; Y24-L35 HydrophobicContact CE2-CB 4.19Å; Y24-L35 HydrophobicContact CE2-CD2 4.45Å; Y24-T38 WeakPolarHBondContact OH-CA 3.42Å; Y24-I39 HydrophobicContact CD1-CD1 3.17Å; Y24-I39 HydrophobicContact CD1-CG1 3.97Å; Y24-I39 HydrophobicContact CD2-CD1 3.98Å; Y24-I39 HydrophobicContact CD2-CG1 4.2Å; Y24-I39 HydrophobicContact CE1-CB 4.19Å; Y24-I39 HydrophobicContact CE1-CD1 3.21Å; Y24-I39 HydrophobicContact CE1-CG1 3.53Å; Y24-I39 HydrophobicContact CE2-CD1 4.04Å; Y24-I39 HydrophobicContact CE2-CG1 3.81Å; Y24-I39 HydrophobicContact CG-CD1 3.56Å; Y24-I39 HydrophobicContact CG-CG1 4.27Å; Y24-I39 VanDerWaalsContact CZ-CG1 3.45Å; Y24-I39 PolarHBondContact OH-N 3.27Å; Y24-L112 WeakPolarHBondContact CA-O 3.43Å
25	Y	97.3	Very high	85.7	Confident	69 Å²	69	74.2 Å²	74.2	27%	0.271	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.1	-171	-50.3	-103.8	0	0	0	110.6	G29 Q30 I31 V111 L112 V114 I117	Y25-G29 WeakPolarHBondContact CD1-O 3.44Å; Y25-Q30 CarbonylContact C-O 3.58Å; Y25-Q30 VanDerWaalsContact CA-O 3.29Å; Y25-Q30 WeakPolarHBondContact CA-O 3.41Å; Y25-I31 HydrophobicContact CD1-CB 4.3Å; Y25-I31 HydrophobicContact CE1-CB 4.41Å; Y25-V111 CarbonylContact O-C 3.48Å; Y25-V111 VanDerWaalsContact O-CA 3.23Å; Y25-V111 WeakPolarHBondContact O-CA 3.31Å; Y25-L112 PolarHBondContact N-O 2.91Å; Y25-L112 PolarHBondContact O-N 2.83Å; Y25-V114 HydrophobicContact CE2-CG2 3.79Å; Y25-I117 VanDerWaalsContact CB-CD1 3.49Å; Y25-I117 HydrophobicContact CD2-CD1 3.19Å; Y25-I117 HydrophobicContact CE2-CD1 4.06Å; Y25-I117 HydrophobicContact CG-CD1 3.48Å; Y25-I117 VanDerWaalsContact CG-CD1 3.48Å
26	C	96.8	Very high	87.7	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.014	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	157.4	164.5	-178.5	0	0	0	0	109.9	C28 G29 Q30 C86 L93	C26-C28 PolarHBondContact O-N 2.81Å; C26-G29 PolarHBondContact O-N 3.15Å; C26-Q30 PolarHBondContact N-O 3.46Å; C26-C86 HydrophobicContact CB-CB 4.41Å; C26-C86 VanDerWaalsContact SG-SG 3.66Å; C26-L93 HydrophobicContact CB-CD1 4.41Å; C26-L93 HydrophobicContact CB-CD2 4.29Å
27	K	93.4	Very high	89.6	Confident	151 Å²	151	57 Å²	57	66%	0.657	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-22.2	173.5	-59.3	-176.1	-177	-177.7	0	114.4	G29 N109 L112	K27-G29 VanDerWaalsContact C-N 3.32Å; K27-N109 WeakPolarHBondContact CE-O 3.31Å; K27-N109 PolarHBondContact NZ-O 2.85Å; K27-L112 HydrophobicContact CG-CD1 4.38Å
28	C	94.7	Very high	91.5	Very high	40 Å²	40	54.8 Å²	54.8	27%	0.27	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	0.9	175.1	69	0	0	0	0	114.9	C26 K88 C89	C26-C28 PolarHBondContact O-N 2.81Å; C28-K88 PolarHBondContact O-NZ 2.8Å; C28-C89 HydrophobicContact CB-CB 3.85Å
29	G	93.5	Very high	93	Very high	41 Å²	41	48 Å²	48	42%	0.423	25%	0.252	S	S	.	.	S	Bend	trans	87.6	-4.1	-178.2	0	0	0	0	0	115.4	Y25 C26 K27	Y25-G29 WeakPolarHBondContact CD1-O 3.44Å; C26-G29 PolarHBondContact O-N 3.15Å; K27-G29 VanDerWaalsContact C-N 3.32Å
30	Q	95.3	Very high	94.2	Very high	73 Å²	73	47.6 Å²	47.6	34%	0.341	26%	0.26	S	S	.	.			trans	-73.9	137.3	176.3	-172.3	63.5	25.2	0	0	110.9	Y25 C26 A32 K88	Y25-Q30 CarbonylContact C-O 3.58Å; Y25-Q30 VanDerWaalsContact CA-O 3.29Å; Y25-Q30 WeakPolarHBondContact CA-O 3.41Å; C26-Q30 PolarHBondContact N-O 3.46Å; Q30-A32 PolarHBondContact O-N 3.49Å; Q30-K88 HydrophobicContact CB-CB 4.03Å; Q30-K88 HydrophobicContact CB-CD 4.35Å; Q30-K88 HydrophobicContact CG-CB 4.24Å
31	I	96.2	Very high	94.6	Very high	46 Å²	46	52.6 Å²	52.6	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	132.5	172.6	-166.6	168	0	0	0	110.8	Y25 I34 F63	Y25-I31 HydrophobicContact CD1-CB 4.3Å; Y25-I31 HydrophobicContact CE1-CB 4.41Å; I31-I34 HydrophobicContact CD1-CD1 3.88Å; I31-I34 HydrophobicContact CD1-CG1 3.84Å; I31-F63 HydrophobicContact CD1-CE2 4.08Å; I31-F63 HydrophobicContact CG1-CD2 4.16Å; I31-F63 HydrophobicContact CG1-CE2 4.2Å; I31-F63 HydrophobicContact CG2-CD1 4.48Å; I31-F63 HydrophobicContact CG2-CD2 4.19Å; I31-F63 HydrophobicContact CG2-CE2 4.44Å; I31-F63 HydrophobicContact CG2-CG 4.2Å; I31-F63 WeakPolarHBondContact O-CB 3.49Å
32	A	96.8	Very high	94.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-37.4	-174.9	0	0	0	0	0	112.7	Y24 Q30 F63 L93 F94 V111	Y24-A32 PolarHBondContact O-N 2.75Å; Q30-A32 PolarHBondContact O-N 3.49Å; A32-F63 PolarHBondContact O-N 2.85Å; A32-L93 HydrophobicContact CB-CD1 3.83Å; A32-F94 HydrophobicContact CB-CE2 4.37Å; A32-F94 HydrophobicContact CB-CZ 4.3Å; A32-F94 WeakPolarHBondContact O-CZ 3.03Å; A32-V111 HydrophobicContact CB-CG1 3.67Å
33	L	96.8	Very high	94.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	137.6	-175.3	170.7	70	0	0	0	110.3	Y24 L35 I39 L53 F60 K61 I62 F94 L106	Y24-L33 HydrophobicContact CD2-CD2 4.2Å; Y24-L33 HydrophobicContact CD2-CG 4.32Å; Y24-L33 PolarHBondContact N-O 3.37Å; Y24-L33 PolarHBondContact O-N 3.46Å; Y24-L33 VanDerWaalsContact O-N 3.15Å; L33-L35 HydrophobicContact CD1-CB 4.48Å; L33-L35 HydrophobicContact CD2-CB 4.41Å; L33-L35 HydrophobicContact CD2-CD2 4.36Å; L33-L35 HydrophobicContact CG-CB 4.25Å; L33-I39 HydrophobicContact CD2-CD1 4.46Å; L33-I39 HydrophobicContact CD2-CG1 4.49Å; L33-L53 HydrophobicContact CD1-CD1 3.95Å; L33-L53 HydrophobicContact CD1-CD2 4.33Å; L33-L53 HydrophobicContact CD2-CD1 4.26Å; L33-L53 HydrophobicContact CD2-CD2 4.31Å; L33-F60 HydrophobicContact CD1-CB 4.02Å; L33-F60 HydrophobicContact CD1-CD2 4.42Å; L33-K61 CarbonylContact C-O 3.59Å; L33-K61 WeakPolarHBondContact CA-O 3.34Å; L33-I62 HydrophobicContact CD1-CG2 3.76Å; L33-F94 HydrophobicContact CB-CE1 4.43Å; L33-F94 HydrophobicContact CB-CZ 4.05Å; L33-L106 HydrophobicContact CD2-CD2 4.42Å
34	I	96.6	Very high	94.9	Very high	38 Å²	38	49.9 Å²	49.9	20%	0.195	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.4	163.6	-61	169.4	0	0	0	106.8	L21 Q22 I31 F60 K61 F63	L21-I34 HydrophobicContact CB-CG2 3.97Å; L21-I34 HydrophobicContact CD1-CG2 4.25Å; L21-I34 HydrophobicContact CG-CG2 4.49Å; Q22-I34 CarbonylContact O-C 3.59Å; Q22-I34 WeakPolarHBondContact O-CA 3.32Å; I31-I34 HydrophobicContact CD1-CD1 3.88Å; I31-I34 HydrophobicContact CD1-CG1 3.84Å; I34-F60 CarbonylContact O-C 3.51Å; I34-F60 WeakPolarHBondContact O-CA 3.37Å; I34-F60 VanDerWaalsContact O-CB 3.26Å; I34-F60 WeakPolarHBondContact O-CB 3.38Å; I34-K61 HydrophobicContact CB-CB 4.44Å; I34-K61 PolarHBondContact N-O 2.68Å; I34-K61 PolarHBondContact O-N 2.85Å; I34-F63 HydrophobicContact CD1-CE2 3.71Å; I34-F63 HydrophobicContact CD1-CZ 4.03Å; I34-F63 HydrophobicContact CG1-CE2 3.99Å
35	L	95.4	Very high	94.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.9	-171.5	-178	63.3	0	0	0	110.8	Q22 Y24 L33 T37 I39 L42 L53 N58 F60	Q22-L35 PolarHBondContact N-O 3.33Å; Q22-L35 PolarHBondContact O-N 3.32Å; Y24-L35 HydrophobicContact CE2-CB 4.19Å; Y24-L35 HydrophobicContact CE2-CD2 4.45Å; L33-L35 HydrophobicContact CD1-CB 4.48Å; L33-L35 HydrophobicContact CD2-CB 4.41Å; L33-L35 HydrophobicContact CD2-CD2 4.36Å; L33-L35 HydrophobicContact CG-CB 4.25Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 HydrophobicContact CD1-CG2 3.87Å; L35-T37 HydrophobicContact CD2-CG2 3.79Å; L35-T37 VanDerWaalsContact CD2-O 3.22Å; L35-T37 WeakPolarHBondContact CD2-O 3.37Å; L35-T37 HydrophobicContact CG-CG2 3.7Å; L35-T37 VanDerWaalsContact CG-O 3.26Å; L35-T37 WeakPolarHBondContact CG-O 3.35Å; L35-T37 PolarHBondContact O-N 3.31Å; L35-I39 HydrophobicContact CD2-CG1 4.35Å; L35-L42 HydrophobicContact CD1-CD2 4.39Å; L35-L42 HydrophobicContact CD2-CD1 3.73Å; L35-L42 HydrophobicContact CD2-CD2 4.1Å; L35-L42 HydrophobicContact CD2-CG 4.05Å; L35-L53 HydrophobicContact CD1-CD2 3.89Å; L35-L53 HydrophobicContact CD2-CD2 4.28Å; L35-N58 HydrophobicContact CD1-CB 3.91Å; L35-F60 HydrophobicContact CD1-CB 3.69Å; L35-F60 HydrophobicContact CD1-CG 4.5Å
36	D	94	Very high	94.5	Very high	16 Å²	16	53.2 Å²	53.2	9%	0.086	28%	0.281	C	S	.	.	S	Bend	trans	-79.7	-7.8	177.7	70.6	-33.6	0	0	0	114.7	R19 L21 N58 I59	R19-D36 HydrophobicContact CB-CB 4.32Å; R19-D36 IonicContact CZ-OD2 3.79Å; R19-D36 IonicContact NH1-OD2 2.83Å; R19-D36 PolarHBondContact NH1-OD2 3.26Å; L21-D36 HydrophobicContact CD2-CB 3.97Å; D36-N58 WeakPolarHBondContact OD1-CB 3.26Å; D36-I59 HydrophobicContact CB-CB 4.13Å; D36-I59 VanDerWaalsContact CG-N 3.3Å; D36-I59 PolarHBondContact N-O 2.81Å; D36-I59 PolarHBondContact OD1-N 3.47Å; D36-I59 PolarHBondContact OD2-N 3.07Å
37	T	92.1	Very high	94.2	Very high	20 Å²	20	56.9 Å²	56.9	12%	0.123	30%	0.297	C	S	.	.	S	Bend	trans	-128.1	168.6	179.1	-176.5	0	0	0	0	111.4	L35 R41 L42 N58	L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 HydrophobicContact CD1-CG2 3.87Å; L35-T37 HydrophobicContact CD2-CG2 3.79Å; L35-T37 VanDerWaalsContact CD2-O 3.22Å; L35-T37 WeakPolarHBondContact CD2-O 3.37Å; L35-T37 HydrophobicContact CG-CG2 3.7Å; L35-T37 VanDerWaalsContact CG-O 3.26Å; L35-T37 WeakPolarHBondContact CG-O 3.35Å; L35-T37 PolarHBondContact O-N 3.31Å; T37-R41 WeakPolarHBondContact OG1-CB 3.15Å; T37-R41 WeakPolarHBondContact OG1-CD 3.48Å; T37-L42 HydrophobicContact CG2-CD2 3.84Å; T37-L42 HydrophobicContact CG2-CG 4.5Å; T37-N58 HydrophobicContact CG2-CB 4.45Å; T37-N58 WeakPolarHBondContact CG2-OD1 3.35Å
38	T	92.6	Very high	94.2	Very high	39 Å²	39	51.9 Å²	51.9	24%	0.239	28%	0.277	C	S	.	.			trans	-76.1	145	172.6	59.2	0	0	0	0	110.4	Q22 Y24 D40 R41	Q22-T38 VanDerWaalsContact NE2-CG2 3.29Å; Y24-T38 WeakPolarHBondContact OH-CA 3.42Å; T38-D40 PolarHBondContact O-N 3.29Å; T38-D40 VanDerWaalsContact O-N 3.13Å; T38-R41 PolarHBondContact O-N 3.34Å; T38-R41 WeakPolarHBondContact OG1-CD 3.45Å; T38-R41 VanDerWaalsContact OG1-CG 3.31Å; T38-R41 WeakPolarHBondContact OG1-CG 3.35Å
39	I	93.4	Very high	94.1	Very high	23 Å²	23	57 Å²	57	12%	0.118	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-54.9	-34.8	177.5	-76.6	176.3	0	0	0	111.8	Y24 L33 L35 R41 L42 R51 L106 V111	Y24-I39 HydrophobicContact CD1-CD1 3.17Å; Y24-I39 HydrophobicContact CD1-CG1 3.97Å; Y24-I39 HydrophobicContact CD2-CD1 3.98Å; Y24-I39 HydrophobicContact CD2-CG1 4.2Å; Y24-I39 HydrophobicContact CE1-CB 4.19Å; Y24-I39 HydrophobicContact CE1-CD1 3.21Å; Y24-I39 HydrophobicContact CE1-CG1 3.53Å; Y24-I39 HydrophobicContact CE2-CD1 4.04Å; Y24-I39 HydrophobicContact CE2-CG1 3.81Å; Y24-I39 HydrophobicContact CG-CD1 3.56Å; Y24-I39 HydrophobicContact CG-CG1 4.27Å; Y24-I39 VanDerWaalsContact CZ-CG1 3.45Å; Y24-I39 PolarHBondContact OH-N 3.27Å; L33-I39 HydrophobicContact CD2-CD1 4.46Å; L33-I39 HydrophobicContact CD2-CG1 4.49Å; L35-I39 HydrophobicContact CD2-CG1 4.35Å; I39-R41 PolarHBondContact O-N 3.13Å; I39-L42 WeakPolarHBondContact O-CB 3.44Å; I39-L42 PolarHBondContact O-N 3.01Å; I39-L42 VanDerWaalsContact O-N 3.12Å; I39-R51 HydrophobicContact CG2-CG 4.02Å; I39-L106 HydrophobicContact CD1-CD2 3.94Å; I39-L106 HydrophobicContact CG1-CD2 4.31Å; I39-L106 HydrophobicContact CG2-CD2 4.24Å; I39-V111 HydrophobicContact CD1-CG2 3.39Å
40	D	92.4	Very high	94.3	Very high	122 Å²	122	55 Å²	55	65%	0.652	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-64.7	-25.8	-178.6	-59.1	-53.3	0	0	0	113.6	T38 R51	T38-D40 PolarHBondContact O-N 3.29Å; T38-D40 VanDerWaalsContact O-N 3.13Å; D40-R51 PolarHBondContact O-NH1 3.21Å; D40-R51 IonicContact OD1-NH2 3.28Å
41	R	93.1	Very high	94.3	Very high	195 Å²	195	53.8 Å²	53.8	74%	0.736	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-82.9	-12.4	177.8	-72.1	175.7	179.5	-170.2	0.7	113.3	T37 T38 I39	T37-R41 WeakPolarHBondContact OG1-CB 3.15Å; T37-R41 WeakPolarHBondContact OG1-CD 3.48Å; T38-R41 PolarHBondContact O-N 3.34Å; T38-R41 WeakPolarHBondContact OG1-CD 3.45Å; T38-R41 VanDerWaalsContact OG1-CG 3.31Å; T38-R41 WeakPolarHBondContact OG1-CG 3.35Å; I39-R41 PolarHBondContact O-N 3.13Å
42	L	95	Very high	94.4	Very high	3 Å²	3	53 Å²	53	2%	0.016	26%	0.26	C	S	.	.	S	Bend	trans	-69.6	141.7	177	-64	174.4	0	0	0	110.4	L35 T37 I39 L44 R51 L53	L35-L42 HydrophobicContact CD1-CD2 4.39Å; L35-L42 HydrophobicContact CD2-CD1 3.73Å; L35-L42 HydrophobicContact CD2-CD2 4.1Å; L35-L42 HydrophobicContact CD2-CG 4.05Å; T37-L42 HydrophobicContact CG2-CD2 3.84Å; T37-L42 HydrophobicContact CG2-CG 4.5Å; I39-L42 WeakPolarHBondContact O-CB 3.44Å; I39-L42 PolarHBondContact O-N 3.01Å; I39-L42 VanDerWaalsContact O-N 3.12Å; L42-L44 PolarHBondContact O-N 2.89Å; L42-R51 HydrophobicContact CB-CB 4.02Å; L42-R51 HydrophobicContact CD1-CB 3.99Å; L42-R51 PolarHBondContact O-NH1 3.36Å; L42-L53 HydrophobicContact CD1-CD2 3.47Å; L42-L53 VanDerWaalsContact CD1-CD2 3.47Å; L42-L53 HydrophobicContact CD1-CG 4.23Å; L42-L53 HydrophobicContact CD2-CD2 4.08Å; L42-L53 HydrophobicContact CG-CD2 4.43Å
43	P	95.7	Very high	94.4	Very high	57 Å²	57	52.9 Å²	52.9	37%	0.37	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-54.7	136.9	175.5	-23.5	32.7	0	0	0	111.3	R51 V52	P43-R51 WeakPolarHBondContact O-CA 3.46Å; P43-V52 HydrophobicContact CB-CB 4.24Å; P43-V52 HydrophobicContact CB-CG2 4.39Å; P43-V52 PolarHBondContact O-N 3.09Å
44	L	95.7	Very high	94.3	Very high	92 Å²	92	54.1 Å²	54.1	48%	0.482	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-91.8	129.9	173	-82.5	163.3	0	0	0	109.8	L42 R49 R51	L42-L44 PolarHBondContact O-N 2.89Å; L44-R49 VanDerWaalsContact CD2-O 3.27Å; L44-R49 WeakPolarHBondContact CD2-O 3.3Å; L44-R51 VanDerWaalsContact CD2-CD 3.49Å; L44-R51 HydrophobicContact CD2-CG 4.21Å; L44-R51 VanDerWaalsContact CD2-NE 3.32Å; L44-R51 VanDerWaalsContact CG-CZ 3.49Å
45	R	94.2	Very high	94.1	Very high	31 Å²	31	57.9 Å²	57.9	12%	0.117	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.6	126.2	170.2	-174.5	175.6	-175.3	-139.1	-0.8	109.4	K47 D48 R49 A50 V52 E79 Y95	R45-K47 VanDerWaalsContact C-N 3.32Å; R45-K47 HydrophobicContact CG-CB 4.48Å; R45-K47 PolarHBondContact O-N 2.75Å; R45-D48 WeakPolarHBondContact CD-OD1 3.48Å; R45-D48 IonicContact NH1-OD1 3.37Å; R45-D48 IonicContact NH1-OD2 3.2Å; R45-R49 WeakPolarHBondContact O-CA 3.41Å; R45-R49 PolarHBondContact O-N 3.27Å; R45-A50 WeakPolarHBondContact CB-O 3.4Å; R45-A50 PolarHBondContact N-O 2.86Å; R45-V52 HydrophobicContact CB-CG2 4.35Å; R45-E79 IonicContact CZ-OE1 3.82Å; R45-E79 IonicContact CZ-OE2 2.8Å; R45-E79 IonicContact NH1-OE1 2.68Å; R45-E79 PolarHBondContact NH1-OE1 3.23Å; R45-E79 IonicContact NH1-OE2 3.98Å; R45-E79 IonicContact NH2-OE1 3.88Å; R45-E79 PolarHBondContact NH2-OE1 2.73Å; R45-E79 VanDerWaalsContact NH2-OE1 3.11Å; R45-E79 IonicContact NH2-OE2 3.39Å; R45-E79 PolarHBondContact NH2-OE2 2.67Å; R45-Y95 PolarHBondContact NH1-OH 3.36Å
46	P	91.4	Very high	94	Very high	127 Å²	127	66.6 Å²	66.6	83%	0.825	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.7	-175.5	24.8	-33.7	0	0	0	114
47	K	90.7	Very high	93.9	Very high	80 Å²	80	74.1 Å²	74.1	35%	0.348	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-44.3	-174.6	-67.9	-173.5	173.6	-170.6	0	113.4	R45 W74 E76	R45-K47 VanDerWaalsContact C-N 3.32Å; R45-K47 HydrophobicContact CG-CB 4.48Å; R45-K47 PolarHBondContact O-N 2.75Å; K47-W74 HydrophobicContact CB-CH2 4.13Å; K47-W74 HydrophobicContact CB-CZ2 4.38Å; K47-W74 HydrophobicContact CB-CZ3 4.27Å; K47-E76 VanDerWaalsContact CE-OE2 3.23Å; K47-E76 WeakPolarHBondContact CE-OE2 3.45Å; K47-E76 IonicContact NZ-OE2 2.94Å; K47-E76 PolarHBondContact NZ-OE2 3.41Å
48	D	92.3	Very high	93.8	Very high	45 Å²	45	74.4 Å²	74.4	24%	0.241	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	8.2	-172.5	72.4	-28.1	0	0	0	113.6	R45 A50 W74 Y95	R45-D48 WeakPolarHBondContact CD-OD1 3.48Å; R45-D48 IonicContact NH1-OD1 3.37Å; R45-D48 IonicContact NH1-OD2 3.2Å; D48-A50 PolarHBondContact O-N 3.13Å; D48-A50 VanDerWaalsContact O-N 3.09Å; D48-A50 VanDerWaalsContact OD1-CB 3.31Å; D48-A50 WeakPolarHBondContact OD1-CB 3.5Å; D48-A50 PolarHBondContact OD1-N 3.47Å; D48-A50 VanDerWaalsContact OD1-N 3.12Å; D48-A50 VanDerWaalsContact OD2-CB 3.3Å; D48-A50 WeakPolarHBondContact OD2-CB 3.22Å; D48-W74 HydrophobicContact CB-CH2 4.22Å; D48-Y95 PolarHBondContact OD1-OH 2.87Å; D48-Y95 WeakPolarHBondContact OD2-CE1 3.3Å; D48-Y95 PolarHBondContact OD2-OH 2.93Å
49	R	94.3	Very high	93.9	Very high	148 Å²	148	78.1 Å²	78.1	56%	0.558	37%	0.369	S	S	*	.			trans	58.3	20.1	-178.1	-57.9	169.5	55	118	2.5	113.8	L44 R45 E108	L44-R49 VanDerWaalsContact CD2-O 3.27Å; L44-R49 WeakPolarHBondContact CD2-O 3.3Å; R45-R49 WeakPolarHBondContact O-CA 3.41Å; R45-R49 PolarHBondContact O-N 3.27Å; R49-E108 IonicContact CZ-OE1 2.88Å; R49-E108 VanDerWaalsContact CZ-OE1 3.28Å; R49-E108 IonicContact NE-OE1 3.38Å; R49-E108 PolarHBondContact NE-OE1 3.44Å; R49-E108 IonicContact NE-OE2 2.61Å; R49-E108 PolarHBondContact NE-OE2 3.45Å; R49-E108 IonicContact NH2-OE1 2.84Å; R49-E108 PolarHBondContact NH2-OE1 3.01Å
50	A	96.1	Very high	94	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.6	145.1	173.4	0	0	0	0	0	111.1	R45 D48 Y95 F105 L106	R45-A50 WeakPolarHBondContact CB-O 3.4Å; R45-A50 PolarHBondContact N-O 2.86Å; D48-A50 PolarHBondContact O-N 3.13Å; D48-A50 VanDerWaalsContact O-N 3.09Å; D48-A50 VanDerWaalsContact OD1-CB 3.31Å; D48-A50 WeakPolarHBondContact OD1-CB 3.5Å; D48-A50 PolarHBondContact OD1-N 3.47Å; D48-A50 VanDerWaalsContact OD1-N 3.12Å; D48-A50 VanDerWaalsContact OD2-CB 3.3Å; D48-A50 WeakPolarHBondContact OD2-CB 3.22Å; A50-Y95 HydrophobicContact CB-CE1 4Å; A50-Y95 WeakPolarHBondContact CB-OH 3.3Å; A50-F105 HydrophobicContact CB-CB 4.05Å; A50-L106 CarbonylContact C-O 3.58Å; A50-L106 VanDerWaalsContact CA-O 3.22Å; A50-L106 WeakPolarHBondContact CA-O 3.33Å; A50-L106 VanDerWaalsContact CB-O 3.31Å; A50-L106 WeakPolarHBondContact CB-O 3.27Å
51	R	96.7	Very high	94.1	Very high	47 Å²	47	79 Å²	79	18%	0.177	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.7	174.2	-64.6	-73	-174.2	167.3	3.8	109.3	I39 D40 L42 P43 L44 L106	I39-R51 HydrophobicContact CG2-CG 4.02Å; D40-R51 PolarHBondContact O-NH1 3.21Å; D40-R51 IonicContact OD1-NH2 3.28Å; L42-R51 HydrophobicContact CB-CB 4.02Å; L42-R51 HydrophobicContact CD1-CB 3.99Å; L42-R51 PolarHBondContact O-NH1 3.36Å; P43-R51 WeakPolarHBondContact O-CA 3.46Å; L44-R51 VanDerWaalsContact CD2-CD 3.49Å; L44-R51 HydrophobicContact CD2-CG 4.21Å; L44-R51 VanDerWaalsContact CD2-NE 3.32Å; L44-R51 VanDerWaalsContact CG-CZ 3.49Å; R51-L106 HydrophobicContact CB-CB 4.17Å; R51-L106 HydrophobicContact CB-CD2 4.23Å; R51-L106 PolarHBondContact N-O 2.84Å; R51-L106 PolarHBondContact O-N 3.02Å
52	V	96.7	Very high	94.3	Very high	28 Å²	28	71 Å²	71	17%	0.17	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.7	-176.5	-173.8	0	0	0	0	110.2	P43 R45 V103 F105	P43-V52 HydrophobicContact CB-CB 4.24Å; P43-V52 HydrophobicContact CB-CG2 4.39Å; P43-V52 PolarHBondContact O-N 3.09Å; R45-V52 HydrophobicContact CB-CG2 4.35Å; V52-V103 HydrophobicContact CG1-CG1 3.72Å; V52-F105 HydrophobicContact CG1-CE1 4.35Å; V52-F105 HydrophobicContact CG2-CD1 4.01Å; V52-F105 HydrophobicContact CG2-CE1 3.86Å
53	L	96.5	Very high	94.4	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.6	171.6	-65.8	168.1	0	0	0	108.1	L33 L35 L42 F60 I62 F94 V103 Y104 L106	L33-L53 HydrophobicContact CD1-CD1 3.95Å; L33-L53 HydrophobicContact CD1-CD2 4.33Å; L33-L53 HydrophobicContact CD2-CD1 4.26Å; L33-L53 HydrophobicContact CD2-CD2 4.31Å; L35-L53 HydrophobicContact CD1-CD2 3.89Å; L35-L53 HydrophobicContact CD2-CD2 4.28Å; L42-L53 HydrophobicContact CD1-CD2 3.47Å; L42-L53 VanDerWaalsContact CD1-CD2 3.47Å; L42-L53 HydrophobicContact CD1-CG 4.23Å; L42-L53 HydrophobicContact CD2-CD2 4.08Å; L42-L53 HydrophobicContact CG-CD2 4.43Å; L53-F60 HydrophobicContact CB-CD1 4.29Å; L53-F60 HydrophobicContact CB-CE1 3.91Å; L53-F60 HydrophobicContact CB-CE2 4.22Å; L53-F60 HydrophobicContact CB-CZ 3.87Å; L53-F60 HydrophobicContact CD2-CD1 4.39Å; L53-F60 HydrophobicContact CD2-CG 4.39Å; L53-I62 HydrophobicContact CD1-CG2 4.25Å; L53-F94 HydrophobicContact CD1-CD1 4.27Å; L53-F94 HydrophobicContact CD1-CE1 4.1Å; L53-V103 CarbonylContact O-C 3.54Å; L53-V103 WeakPolarHBondContact O-CA 3.44Å; L53-Y104 PolarHBondContact N-O 2.99Å; L53-Y104 PolarHBondContact O-N 3.2Å; L53-L106 HydrophobicContact CD1-CB 4.37Å
54	D	95.2	Very high	94.4	Very high	25 Å²	25	72.7 Å²	72.7	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.3	-175.5	179	-4.8	0	0	0	108.9	Q56 R57 N58	D54-Q56 PolarHBondContact O-N 2.66Å; D54-Q56 VanDerWaalsContact O-N 3.17Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.12Å; D54-Q56 PolarHBondContact OD1-N 2.72Å; D54-R57 HydrophobicContact CB-CB 4.28Å; D54-R57 HydrophobicContact CB-CG 4.24Å; D54-R57 PolarHBondContact O-N 3.29Å; D54-R57 WeakPolarHBondContact OD2-CD 3.26Å; D54-R57 WeakPolarHBondContact OD2-CG 3.42Å; D54-R57 IonicContact OD2-NE 3.11Å; D54-R57 PolarHBondContact OD2-NE 2.7Å; D54-N58 PolarHBondContact O-N 2.84Å
55	E	93.3	Very high	94.4	Very high	118 Å²	118	71.8 Å²	71.8	55%	0.551	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.1	-176.7	-72	176.2	-174.4	0	0	112.3	F60 G102	E55-F60 HydrophobicContact CB-CE1 4.47Å; E55-F60 HydrophobicContact CG-CE1 3.91Å; E55-F60 HydrophobicContact CG-CE2 4.43Å; E55-F60 HydrophobicContact CG-CZ 3.57Å; E55-G102 WeakPolarHBondContact CG-O 2.92Å; E55-G102 PolarHBondContact N-O 3.13Å
56	Q	92.3	Very high	94.5	Very high	183 Å²	183	75 Å²	75	86%	0.855	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.8	177.3	-59.1	-172.2	-13.2	0	0	113.2	D54	D54-Q56 PolarHBondContact O-N 2.66Å; D54-Q56 VanDerWaalsContact O-N 3.17Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.12Å; D54-Q56 PolarHBondContact OD1-N 2.72Å
57	R	91.4	Very high	94.5	Very high	173 Å²	173	73.6 Å²	73.6	65%	0.653	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-36.2	-172.5	-63.6	-178.8	-174	-138.1	-5.3	113.2	D54	D54-R57 HydrophobicContact CB-CB 4.28Å; D54-R57 HydrophobicContact CB-CG 4.24Å; D54-R57 PolarHBondContact O-N 3.29Å; D54-R57 WeakPolarHBondContact OD2-CD 3.26Å; D54-R57 WeakPolarHBondContact OD2-CG 3.42Å; D54-R57 IonicContact OD2-NE 3.11Å; D54-R57 PolarHBondContact OD2-NE 2.7Å
58	N	91.2	Very high	94.7	Very high	27 Å²	27	73.6 Å²	73.6	14%	0.144	34%	0.34	C	S	.	.			trans	-131.2	144.4	-172.3	-53.1	-72.1	0	0	0	109.6	L35 D36 T37 D54 F60	L35-N58 HydrophobicContact CD1-CB 3.91Å; D36-N58 WeakPolarHBondContact OD1-CB 3.26Å; T37-N58 HydrophobicContact CG2-CB 4.45Å; T37-N58 WeakPolarHBondContact CG2-OD1 3.35Å; D54-N58 PolarHBondContact O-N 2.84Å; N58-F60 HydrophobicContact CB-CD1 4.31Å; N58-F60 WeakPolarHBondContact O-CD1 3.12Å
59	I	93.6	Very high	94.9	Very high	117 Å²	117	75 Å²	75	60%	0.6	35%	0.351	S	S	*	.			trans	-89	116.9	171	-60	170.1	0	0	0	107.1	D36	D36-I59 HydrophobicContact CB-CB 4.13Å; D36-I59 VanDerWaalsContact CG-N 3.3Å; D36-I59 PolarHBondContact N-O 2.81Å; D36-I59 PolarHBondContact OD1-N 3.47Å; D36-I59 PolarHBondContact OD2-N 3.07Å
60	F	95.5	Very high	94.9	Very high	35 Å²	35	69.6 Å²	69.6	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	161.3	178.1	64.8	-92.8	0	0	0	113.2	L33 I34 L35 L53 E55 N58 I62 Y104	L33-F60 HydrophobicContact CD1-CB 4.02Å; L33-F60 HydrophobicContact CD1-CD2 4.42Å; I34-F60 CarbonylContact O-C 3.51Å; I34-F60 WeakPolarHBondContact O-CA 3.37Å; I34-F60 VanDerWaalsContact O-CB 3.26Å; I34-F60 WeakPolarHBondContact O-CB 3.38Å; L35-F60 HydrophobicContact CD1-CB 3.69Å; L35-F60 HydrophobicContact CD1-CG 4.5Å; L53-F60 HydrophobicContact CB-CD1 4.29Å; L53-F60 HydrophobicContact CB-CE1 3.91Å; L53-F60 HydrophobicContact CB-CE2 4.22Å; L53-F60 HydrophobicContact CB-CZ 3.87Å; L53-F60 HydrophobicContact CD2-CD1 4.39Å; L53-F60 HydrophobicContact CD2-CG 4.39Å; E55-F60 HydrophobicContact CB-CE1 4.47Å; E55-F60 HydrophobicContact CG-CE1 3.91Å; E55-F60 HydrophobicContact CG-CE2 4.43Å; E55-F60 HydrophobicContact CG-CZ 3.57Å; N58-F60 HydrophobicContact CB-CD1 4.31Å; N58-F60 WeakPolarHBondContact O-CD1 3.12Å; F60-I62 HydrophobicContact CD2-CG2 3.97Å; F60-I62 HydrophobicContact CE2-CG2 4.23Å; F60-Y104 AromaticContact CE2-CD2 3.74Å; F60-Y104 HydrophobicContact CE2-CD2 3.74Å; F60-Y104 HydrophobicContact CE2-CE2 4.16Å; F60-Y104 AromaticContact CZ-CD2 3.81Å; F60-Y104 HydrophobicContact CZ-CD2 3.81Å; F60-Y104 HydrophobicContact CZ-CE2 4.33Å
61	K	96.2	Very high	94.9	Very high	128 Å²	128	76.6 Å²	76.6	56%	0.557	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	123.8	171.3	-175.5	172.5	-177.9	173.3	0	109.2	L33 I34 F63	L33-K61 CarbonylContact C-O 3.59Å; L33-K61 WeakPolarHBondContact CA-O 3.34Å; I34-K61 HydrophobicContact CB-CB 4.44Å; I34-K61 PolarHBondContact N-O 2.68Å; I34-K61 PolarHBondContact O-N 2.85Å; K61-F63 HydrophobicContact CD-CE2 4.32Å; K61-F63 HydrophobicContact CD-CZ 3.88Å; K61-F63 HydrophobicContact CG-CE2 4.1Å; K61-F63 HydrophobicContact CG-CZ 4.11Å
62	I	96.2	Very high	94.7	Very high	28 Å²	28	76.2 Å²	76.2	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.1	178.2	55.2	-177.5	0	0	0	111	L33 L53 F60 H64 F94 Y104	L33-I62 HydrophobicContact CD1-CG2 3.76Å; L53-I62 HydrophobicContact CD1-CG2 4.25Å; F60-I62 HydrophobicContact CD2-CG2 3.97Å; F60-I62 HydrophobicContact CE2-CG2 4.23Å; I62-H64 VanDerWaalsContact CD1-CD2 3.45Å; I62-H64 WeakPolarHBondContact CD1-CD2 3.34Å; I62-H64 VanDerWaalsContact CD1-NE2 3.35Å; I62-H64 WeakPolarHBondContact CD1-NE2 3.49Å; I62-F94 HydrophobicContact CG2-CD1 4.46Å; I62-F94 HydrophobicContact CG2-CE1 4.1Å; I62-F94 HydrophobicContact CG2-CZ 4.22Å; I62-Y104 HydrophobicContact CD1-CD1 3.5Å; I62-Y104 HydrophobicContact CD1-CD2 3.94Å; I62-Y104 HydrophobicContact CD1-CE1 3.32Å; I62-Y104 HydrophobicContact CD1-CE2 3.78Å; I62-Y104 HydrophobicContact CD1-CG 3.8Å; I62-Y104 VanDerWaalsContact CD1-CZ 3.47Å
63	F	96.8	Very high	94.6	Very high	51 Å²	51	81.3 Å²	81.3	22%	0.224	38%	0.384	C	S	.	.			trans	-121.7	106.8	175.6	-62	-92.5	0	0	0	108.8	I31 A32 I34 K61	I31-F63 HydrophobicContact CD1-CE2 4.08Å; I31-F63 HydrophobicContact CG1-CD2 4.16Å; I31-F63 HydrophobicContact CG1-CE2 4.2Å; I31-F63 HydrophobicContact CG2-CD1 4.48Å; I31-F63 HydrophobicContact CG2-CD2 4.19Å; I31-F63 HydrophobicContact CG2-CE2 4.44Å; I31-F63 HydrophobicContact CG2-CG 4.2Å; I31-F63 WeakPolarHBondContact O-CB 3.49Å; A32-F63 PolarHBondContact O-N 2.85Å; I34-F63 HydrophobicContact CD1-CE2 3.71Å; I34-F63 HydrophobicContact CD1-CZ 4.03Å; I34-F63 HydrophobicContact CG1-CE2 3.99Å; K61-F63 HydrophobicContact CD-CE2 4.32Å; K61-F63 HydrophobicContact CD-CZ 3.88Å; K61-F63 HydrophobicContact CG-CE2 4.1Å; K61-F63 HydrophobicContact CG-CZ 4.11Å
64	H	95.7	Very high	94.4	Very high	44 Å²	44	84.2 Å²	84.2	20%	0.204	40%	0.395	C	S	.	.			trans	-149.8	172.9	-177.4	64.6	70.3	0	0	0	112	I62 K84 K85 K87 F94	I62-H64 VanDerWaalsContact CD1-CD2 3.45Å; I62-H64 WeakPolarHBondContact CD1-CD2 3.34Å; I62-H64 VanDerWaalsContact CD1-NE2 3.35Å; I62-H64 WeakPolarHBondContact CD1-NE2 3.49Å; H64-K84 HydrophobicContact CB-CB 3.82Å; H64-K85 WeakPolarHBondContact CA-O 3.49Å; H64-K87 WeakPolarHBondContact O-CE 3.26Å; H64-F94 HydrophobicContact CB-CD2 4.28Å
65	E	96.5	Very high	94.2	Very high	72 Å²	72	89.7 Å²	89.7	34%	0.336	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.4	165	-94.1	165	-150.8	0	0	110	K84 K85 K87	E65-K84 CarbonylContact O-C 3.48Å; E65-K84 VanDerWaalsContact O-CA 3.3Å; E65-K84 WeakPolarHBondContact O-CA 3.19Å; E65-K85 HydrophobicContact CB-CG 3.96Å; E65-K85 PolarHBondContact N-O 2.85Å; E65-K85 PolarHBondContact O-N 2.77Å; E65-K87 HydrophobicContact CG-CG 3.96Å; E65-K87 WeakPolarHBondContact OE1-CB 3.37Å
66	P	95.7	Very high	94.1	Very high	99 Å²	99	91.6 Å²	91.6	64%	0.643	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	139.9	167.1	-21.3	33.1	0	0	0	110.7
67	F	92.2	Very high	94.1	Very high	98 Å²	98	84.5 Å²	84.5	43%	0.43	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-90.7	178.3	-172.3	-147.5	0	0	0	111.9	R83 K85	F67-R83 HydrophobicContact CB-CB 4.46Å; F67-R83 WeakPolarHBondContact CB-O 3.36Å; F67-R83 HydrophobicContact CD1-CB 4.3Å; F67-R83 PolarHBondContact N-O 3.03Å; F67-K85 HydrophobicContact CB-CB 3.94Å; F67-K85 HydrophobicContact CB-CD 4.09Å; F67-K85 HydrophobicContact CB-CG 3.94Å; F67-K85 HydrophobicContact CD1-CB 4.38Å; F67-K85 HydrophobicContact CD2-CD 3.63Å; F67-K85 HydrophobicContact CD2-CG 4.39Å; F67-K85 HydrophobicContact CE2-CD 4.28Å; F67-K85 HydrophobicContact CG-CB 4.05Å; F67-K85 HydrophobicContact CG-CD 3.97Å; F67-K85 HydrophobicContact CG-CG 4.24Å
68	E	94.5	Very high	94.1	Very high	80 Å²	80	84.2 Å²	84.2	37%	0.374	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.8	-177.4	55.8	174.7	-171.2	0	0	109.4	V70 R83	E68-V70 HydrophobicContact CB-CG2 4.41Å; E68-V70 VanDerWaalsContact CD-CG2 3.45Å; E68-V70 HydrophobicContact CG-CG2 3.72Å; E68-V70 WeakPolarHBondContact OE1-CG2 3.29Å; E68-R83 HydrophobicContact CG-CB 4.19Å; E68-R83 HydrophobicContact CG-CG 4.48Å; E68-R83 WeakPolarHBondContact O-CA 3.35Å; E68-R83 WeakPolarHBondContact O-CB 3.41Å; E68-R83 PolarHBondContact O-N 3.39Å; E68-R83 WeakPolarHBondContact OE1-CD 3.5Å; E68-R83 IonicContact OE1-CZ 3.6Å; E68-R83 IonicContact OE1-NH1 3.73Å; E68-R83 PolarHBondContact OE1-NH1 2.86Å
69	T	95.3	Very high	94.2	Very high	75 Å²	75	84 Å²	84	46%	0.46	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.4	167.8	-62.8	0	0	0	0	108.1	Q80 Q81 C82	T69-Q80 HydrophobicContact CG2-CG 3.66Å; T69-Q81 CarbonylContact C-O 3.51Å; T69-Q81 WeakPolarHBondContact CA-O 3.37Å; T69-C82 PolarHBondContact OG1-SG 3.05Å
70	V	95.4	Very high	94.2	Very high	33 Å²	33	81.6 Å²	81.6	20%	0.2	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.4	-175.4	-179.6	0	0	0	0	109.3	E68 I72 Q81	E68-V70 HydrophobicContact CB-CG2 4.41Å; E68-V70 VanDerWaalsContact CD-CG2 3.45Å; E68-V70 HydrophobicContact CG-CG2 3.72Å; E68-V70 WeakPolarHBondContact OE1-CG2 3.29Å; V70-I72 HydrophobicContact CG1-CG1 4.29Å; V70-Q81 PolarHBondContact N-O 2.9Å; V70-Q81 PolarHBondContact O-N 3Å
71	Y	95	Very high	94.2	Very high	148 Å²	148	80.1 Å²	80.1	58%	0.58	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.3	170.5	-63.2	-90.8	0	0	0	108.6	E79 Q80	Y71-E79 WeakPolarHBondContact CA-O 3.41Å; Y71-Q80 HydrophobicContact CD1-CB 3.92Å; Y71-Q80 HydrophobicContact CD1-CG 4.14Å; Y71-Q80 HydrophobicContact CE1-CB 3.7Å; Y71-Q80 HydrophobicContact CE1-CG 3.62Å
72	I	93.7	Very high	94.2	Very high	39 Å²	39	75 Å²	75	20%	0.2	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.7	177.7	-55.5	-167.5	0	0	0	108.4	V70 W74 Y78 E79 Q81	V70-I72 HydrophobicContact CG1-CG1 4.29Å; I72-W74 HydrophobicContact CG2-CD2 4.27Å; I72-W74 HydrophobicContact CG2-CZ2 3.9Å; I72-Y78 CarbonylContact O-C 3.58Å; I72-Y78 WeakPolarHBondContact O-CA 3.46Å; I72-E79 PolarHBondContact N-O 2.83Å; I72-E79 PolarHBondContact O-N 2.79Å; I72-Q81 HydrophobicContact CD1-CG 4.29Å; I72-Q81 VanDerWaalsContact CD1-OE1 3.28Å
73	E	94	Very high	94.2	Very high	134 Å²	134	76.4 Å²	76.4	63%	0.626	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.7	172.6	-171.7	169.1	-135.5	0	0	109.8	Y78	E73-Y78 HydrophobicContact CB-CD1 3.97Å; E73-Y78 HydrophobicContact CB-CE1 3.69Å; E73-Y78 HydrophobicContact CG-CD1 4.21Å; E73-Y78 HydrophobicContact CG-CE1 3.65Å; E73-Y78 PolarHBondContact OE1-OH 2.8Å
74	W	92	Very high	94.2	Very high	61 Å²	61	75.2 Å²	75.2	23%	0.231	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	163.9	170.1	-60.3	102.9	0	0	0	109.4	K47 D48 I72 E76 G77 E79	K47-W74 HydrophobicContact CB-CH2 4.13Å; K47-W74 HydrophobicContact CB-CZ2 4.38Å; K47-W74 HydrophobicContact CB-CZ3 4.27Å; D48-W74 HydrophobicContact CB-CH2 4.22Å; I72-W74 HydrophobicContact CG2-CD2 4.27Å; I72-W74 HydrophobicContact CG2-CZ2 3.9Å; W74-E76 PolarHBondContact O-N 3.41Å; W74-G77 WeakPolarHBondContact CB-O 3.45Å; W74-G77 PolarHBondContact N-O 2.93Å; W74-G77 PolarHBondContact O-N 2.91Å; W74-E79 VanDerWaalsContact NE1-CD 3.34Å; W74-E79 PolarHBondContact NE1-OE2 3.47Å
75	P	92.2	Very high	94.3	Very high	140 Å²	140	75.8 Å²	75.8	91%	0.909	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.7	174.1	-26.4	35.3	0	0	0	114.4
76	E	90.3	Very high	94.3	Very high	159 Å²	159	72.5 Å²	72.5	74%	0.743	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.5	-179.5	-63.7	166.8	-170.8	0	0	113.6	K47 W74	K47-E76 VanDerWaalsContact CE-OE2 3.23Å; K47-E76 WeakPolarHBondContact CE-OE2 3.45Å; K47-E76 IonicContact NZ-OE2 2.94Å; K47-E76 PolarHBondContact NZ-OE2 3.41Å; W74-E76 PolarHBondContact O-N 3.41Å
77	G	92.3	Very high	94.4	Very high	33 Å²	33	73.1 Å²	73.1	34%	0.34	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.8	-168	-176.6	0	0	0	0	0	113.8	W74	W74-G77 WeakPolarHBondContact CB-O 3.45Å; W74-G77 PolarHBondContact N-O 2.93Å; W74-G77 PolarHBondContact O-N 2.91Å
78	Y	91.6	Very high	94.5	Very high	168 Å²	168	75.2 Å²	75.2	66%	0.659	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	141	-177.5	-61.6	-77.6	0	0	0	112.6	I72 E73	I72-Y78 CarbonylContact O-C 3.58Å; I72-Y78 WeakPolarHBondContact O-CA 3.46Å; E73-Y78 HydrophobicContact CB-CD1 3.97Å; E73-Y78 HydrophobicContact CB-CE1 3.69Å; E73-Y78 HydrophobicContact CG-CD1 4.21Å; E73-Y78 HydrophobicContact CG-CE1 3.65Å; E73-Y78 PolarHBondContact OE1-OH 2.8Å
79	E	93.1	Very high	94.6	Very high	21 Å²	21	74.6 Å²	74.6	10%	0.098	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.1	176.8	178.8	178.2	127.9	0	0	110.6	R45 Y71 I72 W74 Q81 H97	R45-E79 IonicContact CZ-OE1 3.82Å; R45-E79 IonicContact CZ-OE2 2.8Å; R45-E79 IonicContact NH1-OE1 2.68Å; R45-E79 PolarHBondContact NH1-OE1 3.23Å; R45-E79 IonicContact NH1-OE2 3.98Å; R45-E79 IonicContact NH2-OE1 3.88Å; R45-E79 PolarHBondContact NH2-OE1 2.73Å; R45-E79 VanDerWaalsContact NH2-OE1 3.11Å; R45-E79 IonicContact NH2-OE2 3.39Å; R45-E79 PolarHBondContact NH2-OE2 2.67Å; Y71-E79 WeakPolarHBondContact CA-O 3.41Å; I72-E79 PolarHBondContact N-O 2.83Å; I72-E79 PolarHBondContact O-N 2.79Å; W74-E79 VanDerWaalsContact NE1-CD 3.34Å; W74-E79 PolarHBondContact NE1-OE2 3.47Å; E79-Q81 HydrophobicContact CG-CG 4.27Å; E79-Q81 PolarHBondContact OE1-NE2 3.3Å; E79-H97 WeakPolarHBondContact CG-CE1 3.5Å; E79-H97 IonicContact OE1-CE1 2.84Å; E79-H97 PolarHBondContact OE1-CE1 3.24Å; E79-H97 IonicContact OE1-NE2 3.87Å; E79-H97 PolarHBondContact OE1-NE2 3.38Å
80	Q	94.5	Very high	94.7	Very high	67 Å²	67	72.5 Å²	72.5	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122	173.4	-171.7	178.1	-5.2	0	0	110.3	T69 Y71 H97 P98	T69-Q80 HydrophobicContact CG2-CG 3.66Å; Y71-Q80 HydrophobicContact CD1-CB 3.92Å; Y71-Q80 HydrophobicContact CD1-CG 4.14Å; Y71-Q80 HydrophobicContact CE1-CB 3.7Å; Y71-Q80 HydrophobicContact CE1-CG 3.62Å; Q80-H97 PolarHBondContact O-ND1 3.22Å; Q80-P98 HydrophobicContact CB-CG 4.24Å; Q80-P98 HydrophobicContact CG-CG 4.13Å
81	Q	95.1	Very high	94.7	Very high	5 Å²	5	72.9 Å²	72.9	2%	0.023	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.2	175.9	-70.1	-170.5	2.5	0	0	110.6	T69 V70 I72 E79 R83 Y95	T69-Q81 CarbonylContact C-O 3.51Å; T69-Q81 WeakPolarHBondContact CA-O 3.37Å; V70-Q81 PolarHBondContact N-O 2.9Å; V70-Q81 PolarHBondContact O-N 3Å; I72-Q81 HydrophobicContact CD1-CG 4.29Å; I72-Q81 VanDerWaalsContact CD1-OE1 3.28Å; E79-Q81 HydrophobicContact CG-CG 4.27Å; E79-Q81 PolarHBondContact OE1-NE2 3.3Å; Q81-R83 HydrophobicContact CB-CG 4.48Å; Q81-R83 PolarHBondContact O-N 3.32Å; Q81-Y95 HydrophobicContact CB-CD2 4.26Å; Q81-Y95 HydrophobicContact CG-CD2 3.79Å; Q81-Y95 HydrophobicContact CG-CE2 4.16Å; Q81-Y95 HydrophobicContact CG-CG 4.39Å
82	C	96.1	Very high	94.8	Very high	21 Å²	21	67.8 Å²	67.8	14%	0.142	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	96.1	169.3	-66.6	0	0	0	0	108.6	T69 Y95 E96	T69-C82 PolarHBondContact OG1-SG 3.05Å; C82-Y95 WeakPolarHBondContact O-CA 3.48Å; C82-E96 HydrophobicContact CB-CG 3.65Å; C82-E96 PolarHBondContact N-O 3.14Å; C82-E96 PolarHBondContact O-N 3.38Å; C82-E96 VanDerWaalsContact O-N 3.09Å
83	R	96.2	Very high	94.9	Very high	56 Å²	56	66 Å²	66	21%	0.211	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	145.1	-175.2	-61.6	-172.9	172	165.1	-3.3	111.6	F67 E68 Q81 F92	F67-R83 HydrophobicContact CB-CB 4.46Å; F67-R83 WeakPolarHBondContact CB-O 3.36Å; F67-R83 HydrophobicContact CD1-CB 4.3Å; F67-R83 PolarHBondContact N-O 3.03Å; E68-R83 HydrophobicContact CG-CB 4.19Å; E68-R83 HydrophobicContact CG-CG 4.48Å; E68-R83 WeakPolarHBondContact O-CA 3.35Å; E68-R83 WeakPolarHBondContact O-CB 3.41Å; E68-R83 PolarHBondContact O-N 3.39Å; E68-R83 WeakPolarHBondContact OE1-CD 3.5Å; E68-R83 IonicContact OE1-CZ 3.6Å; E68-R83 IonicContact OE1-NH1 3.73Å; E68-R83 PolarHBondContact OE1-NH1 2.86Å; Q81-R83 HydrophobicContact CB-CG 4.48Å; Q81-R83 PolarHBondContact O-N 3.32Å; R83-F92 HydrophobicContact CB-CD2 3.84Å; R83-F92 HydrophobicContact CB-CE2 3.51Å; R83-F92 HydrophobicContact CB-CZ 4.36Å; R83-F92 HydrophobicContact CG-CD2 4.11Å; R83-F92 HydrophobicContact CG-CE2 3.45Å; R83-F92 VanDerWaalsContact CG-CE2 3.45Å; R83-F92 HydrophobicContact CG-CZ 3.78Å
84	K	97.1	Very high	95.1	Very high	27 Å²	27	59.6 Å²	59.6	12%	0.117	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.9	178.3	-46.3	-66.1	-176	178.6	0	110.1	H64 E65 L93 F94 E96	H64-K84 HydrophobicContact CB-CB 3.82Å; E65-K84 CarbonylContact O-C 3.48Å; E65-K84 VanDerWaalsContact O-CA 3.3Å; E65-K84 WeakPolarHBondContact O-CA 3.19Å; K84-L93 PolarHBondContact O-N 3.19Å; K84-F94 WeakPolarHBondContact CA-O 3.43Å; K84-F94 HydrophobicContact CB-CB 4.29Å; K84-F94 PolarHBondContact N-O 3.05Å; K84-F94 PolarHBondContact O-N 3.43Å; K84-E96 WeakPolarHBondContact CE-OE1 3.23Å; K84-E96 IonicContact NZ-OE1 2.68Å; K84-E96 PolarHBondContact NZ-OE1 3.5Å
85	K	97.3	Very high	95.3	Very high	56 Å²	56	56.8 Å²	56.8	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	161.2	-175.1	66	179.4	176.6	-179.9	0	113	H64 E65 F67 G90 A91	H64-K85 WeakPolarHBondContact CA-O 3.49Å; E65-K85 HydrophobicContact CB-CG 3.96Å; E65-K85 PolarHBondContact N-O 2.85Å; E65-K85 PolarHBondContact O-N 2.77Å; F67-K85 HydrophobicContact CB-CB 3.94Å; F67-K85 HydrophobicContact CB-CD 4.09Å; F67-K85 HydrophobicContact CB-CG 3.94Å; F67-K85 HydrophobicContact CD1-CB 4.38Å; F67-K85 HydrophobicContact CD2-CD 3.63Å; F67-K85 HydrophobicContact CD2-CG 4.39Å; F67-K85 HydrophobicContact CE2-CD 4.28Å; F67-K85 HydrophobicContact CG-CB 4.05Å; F67-K85 HydrophobicContact CG-CD 3.97Å; F67-K85 HydrophobicContact CG-CG 4.24Å; K85-G90 WeakPolarHBondContact CB-O 3.5Å; K85-A91 CarbonylContact C-O 3.6Å; K85-A91 WeakPolarHBondContact CA-O 3.4Å
86	C	97.8	Very high	95.5	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.02	26%	0.264	C	S	.	.			trans	-65.5	132.4	168.6	-177.6	0	0	0	0	110.5	C26 K88 G90 A91 L93	C26-C86 HydrophobicContact CB-CB 4.41Å; C26-C86 VanDerWaalsContact SG-SG 3.66Å; C86-K88 VanDerWaalsContact C-N 3.26Å; C86-K88 PolarHBondContact O-N 3.15Å; C86-G90 VanDerWaalsContact O-CA 3.27Å; C86-G90 WeakPolarHBondContact O-CA 3.22Å; C86-G90 PolarHBondContact O-N 3.5Å; C86-A91 HydrophobicContact CB-CB 4.34Å; C86-A91 PolarHBondContact N-O 2.94Å; C86-L93 HydrophobicContact CB-CD1 3.74Å; C86-L93 HydrophobicContact CB-CG 4.12Å
87	K	95.7	Very high	95.6	Very high	112 Å²	112	45.8 Å²	45.8	49%	0.487	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.2	178.5	-55.8	-166.3	174.8	-174.5	0	113.8	H64 E65	H64-K87 WeakPolarHBondContact O-CE 3.26Å; E65-K87 HydrophobicContact CG-CG 3.96Å; E65-K87 WeakPolarHBondContact OE1-CB 3.37Å
88	K	96.2	Very high	95.6	Very high	142 Å²	142	47.7 Å²	47.7	62%	0.617	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-50.6	-173.7	-173.1	179.9	178.4	-172.7	0	113.1	C28 Q30 C86	C28-K88 PolarHBondContact O-NZ 2.8Å; Q30-K88 HydrophobicContact CB-CB 4.03Å; Q30-K88 HydrophobicContact CB-CD 4.35Å; Q30-K88 HydrophobicContact CG-CB 4.24Å; C86-K88 VanDerWaalsContact C-N 3.26Å; C86-K88 PolarHBondContact O-N 3.15Å
89	C	96.7	Very high	95.6	Very high	66 Å²	66	45.9 Å²	45.9	45%	0.446	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-3.4	-173.1	66.8	0	0	0	0	114.6	C28 A91	C28-C89 HydrophobicContact CB-CB 3.85Å; C89-A91 PolarHBondContact O-N 2.8Å; C89-A91 VanDerWaalsContact SG-CB 3.53Å
90	G	95.5	Very high	95.4	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	27%	0.267	S	S	.	.			trans	71	7.9	-178.1	0	0	0	0	0	115.5	K85 C86	K85-G90 WeakPolarHBondContact CB-O 3.5Å; C86-G90 VanDerWaalsContact O-CA 3.27Å; C86-G90 WeakPolarHBondContact O-CA 3.22Å; C86-G90 PolarHBondContact O-N 3.5Å
91	A	96.2	Very high	95.1	Very high	40 Å²	40	52.4 Å²	52.4	33%	0.331	29%	0.291	S	S	.	.			trans	-63.1	139.1	178.2	0	0	0	0	0	112	K85 C86 C89 L93	K85-A91 CarbonylContact C-O 3.6Å; K85-A91 WeakPolarHBondContact CA-O 3.4Å; C86-A91 HydrophobicContact CB-CB 4.34Å; C86-A91 PolarHBondContact N-O 2.94Å; C89-A91 PolarHBondContact O-N 2.8Å; C89-A91 VanDerWaalsContact SG-CB 3.53Å; A91-L93 PolarHBondContact O-N 3.34Å
92	F	96.5	Very high	95	Very high	41 Å²	41	53 Å²	53	18%	0.18	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	116.7	175	174.1	-138.2	0	0	0	111.2	R83 F94 Y95 K107	R83-F92 HydrophobicContact CB-CD2 3.84Å; R83-F92 HydrophobicContact CB-CE2 3.51Å; R83-F92 HydrophobicContact CB-CZ 4.36Å; R83-F92 HydrophobicContact CG-CD2 4.11Å; R83-F92 HydrophobicContact CG-CE2 3.45Å; R83-F92 VanDerWaalsContact CG-CE2 3.45Å; R83-F92 HydrophobicContact CG-CZ 3.78Å; F92-F94 WeakPolarHBondContact CE2-O 3.25Å; F92-Y95 HydrophobicContact CE2-CD1 4.36Å; F92-Y95 AromaticContact CZ-CD1 3.75Å; F92-Y95 HydrophobicContact CZ-CD1 3.75Å; F92-Y95 HydrophobicContact CZ-CG 4.3Å; F92-K107 HydrophobicContact CD1-CD 3.49Å; F92-K107 VanDerWaalsContact CD1-CD 3.49Å; F92-K107 HydrophobicContact CD1-CG 4.31Å; F92-K107 HydrophobicContact CE1-CB 4.47Å; F92-K107 HydrophobicContact CE1-CD 3.82Å; F92-K107 HydrophobicContact CE1-CG 4.15Å; F92-K107 HydrophobicContact CG-CD 4.21Å; F92-K107 WeakPolarHBondContact O-CD 3.4Å
93	L	96.9	Very high	94.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-52	-173.7	-62.3	-177.8	0	0	0	112.8	C26 A32 K84 C86 A91 K107 S110 V111	C26-L93 HydrophobicContact CB-CD1 4.41Å; C26-L93 HydrophobicContact CB-CD2 4.29Å; A32-L93 HydrophobicContact CB-CD1 3.83Å; K84-L93 PolarHBondContact O-N 3.19Å; C86-L93 HydrophobicContact CB-CD1 3.74Å; C86-L93 HydrophobicContact CB-CG 4.12Å; A91-L93 PolarHBondContact O-N 3.34Å; L93-K107 VanDerWaalsContact O-CB 3.3Å; L93-K107 WeakPolarHBondContact O-CB 3.46Å; L93-K107 PolarHBondContact O-N 3.17Å; L93-S110 WeakPolarHBondContact CD2-O 3.21Å; L93-S110 PolarHBondContact O-OG 2.75Å; L93-V111 HydrophobicContact CD2-CG1 4.43Å
94	F	97.1	Very high	95	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.6	-172	-49.8	-86.1	0	0	0	110	A32 L33 L53 I62 H64 K84 F92 F105 L106 V111	A32-F94 HydrophobicContact CB-CE2 4.37Å; A32-F94 HydrophobicContact CB-CZ 4.3Å; A32-F94 WeakPolarHBondContact O-CZ 3.03Å; L33-F94 HydrophobicContact CB-CE1 4.43Å; L33-F94 HydrophobicContact CB-CZ 4.05Å; L53-F94 HydrophobicContact CD1-CD1 4.27Å; L53-F94 HydrophobicContact CD1-CE1 4.1Å; I62-F94 HydrophobicContact CG2-CD1 4.46Å; I62-F94 HydrophobicContact CG2-CE1 4.1Å; I62-F94 HydrophobicContact CG2-CZ 4.22Å; H64-F94 HydrophobicContact CB-CD2 4.28Å; K84-F94 WeakPolarHBondContact CA-O 3.43Å; K84-F94 HydrophobicContact CB-CB 4.29Å; K84-F94 PolarHBondContact N-O 3.05Å; K84-F94 PolarHBondContact O-N 3.43Å; F92-F94 WeakPolarHBondContact CE2-O 3.25Å; F94-F105 CarbonylContact C-O 3.55Å; F94-F105 VanDerWaalsContact CA-O 3.25Å; F94-F105 WeakPolarHBondContact CA-O 3.4Å; F94-L106 HydrophobicContact CD1-CB 4.1Å; F94-L106 HydrophobicContact CD1-CD1 3.8Å; F94-L106 HydrophobicContact CE1-CB 4.21Å; F94-L106 HydrophobicContact CE1-CD1 3.4Å; F94-L106 VanDerWaalsContact CE1-CD1 3.4Å; F94-L106 HydrophobicContact CE1-CG 4.36Å; F94-L106 HydrophobicContact CZ-CD1 4.09Å; F94-V111 HydrophobicContact CZ-CG1 4.34Å
95	Y	96.7	Very high	95	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.9	164	63.9	-88.4	0	0	0	110.3	R45 D48 A50 Q81 C82 F92 H97 F105	R45-Y95 PolarHBondContact NH1-OH 3.36Å; D48-Y95 PolarHBondContact OD1-OH 2.87Å; D48-Y95 WeakPolarHBondContact OD2-CE1 3.3Å; D48-Y95 PolarHBondContact OD2-OH 2.93Å; A50-Y95 HydrophobicContact CB-CE1 4Å; A50-Y95 WeakPolarHBondContact CB-OH 3.3Å; Q81-Y95 HydrophobicContact CB-CD2 4.26Å; Q81-Y95 HydrophobicContact CG-CD2 3.79Å; Q81-Y95 HydrophobicContact CG-CE2 4.16Å; Q81-Y95 HydrophobicContact CG-CG 4.39Å; C82-Y95 WeakPolarHBondContact O-CA 3.48Å; F92-Y95 HydrophobicContact CE2-CD1 4.36Å; F92-Y95 AromaticContact CZ-CD1 3.75Å; F92-Y95 HydrophobicContact CZ-CD1 3.75Å; F92-Y95 HydrophobicContact CZ-CG 4.3Å; Y95-H97 AromaticContact CE2-CE1 3.72Å; Y95-H97 AromaticContact CE2-NE2 3.68Å; Y95-F105 HydrophobicContact CD1-CB 3.85Å; Y95-F105 HydrophobicContact CD2-CB 3.8Å; Y95-F105 AromaticContact CD2-CD2 3.88Å; Y95-F105 HydrophobicContact CD2-CD2 3.88Å; Y95-F105 HydrophobicContact CD2-CG 4.1Å; Y95-F105 HydrophobicContact CE1-CB 3.41Å; Y95-F105 VanDerWaalsContact CE1-CB 3.41Å; Y95-F105 HydrophobicContact CE1-CG 4.35Å; Y95-F105 HydrophobicContact CE2-CB 3.32Å; Y95-F105 HydrophobicContact CE2-CD1 4.25Å; Y95-F105 AromaticContact CE2-CD2 3.49Å; Y95-F105 HydrophobicContact CE2-CD2 3.49Å; Y95-F105 VanDerWaalsContact CE2-CD2 3.49Å; Y95-F105 HydrophobicContact CE2-CE2 4.4Å; Y95-F105 AromaticContact CE2-CG 3.41Å; Y95-F105 HydrophobicContact CE2-CG 3.41Å; Y95-F105 VanDerWaalsContact CE2-CG 3.41Å; Y95-F105 HydrophobicContact CG-CB 4.03Å; Y95-F105 AromaticContact CZ-CG 3.57Å; Y95-F105 PolarHBondContact N-O 2.84Å; Y95-F105 PolarHBondContact O-N 3.03Å; Y95-F105 WeakPolarHBondContact OH-CB 3.38Å
96	E	95.6	Very high	95	Very high	47 Å²	47	49.2 Å²	49.2	22%	0.22	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.7	174	68.3	-169.9	170.2	0	0	109.8	C82 K84 Y104	C82-E96 HydrophobicContact CB-CG 3.65Å; C82-E96 PolarHBondContact N-O 3.14Å; C82-E96 PolarHBondContact O-N 3.38Å; C82-E96 VanDerWaalsContact O-N 3.09Å; K84-E96 WeakPolarHBondContact CE-OE1 3.23Å; K84-E96 IonicContact NZ-OE1 2.68Å; K84-E96 PolarHBondContact NZ-OE1 3.5Å; E96-Y104 HydrophobicContact CB-CD1 4.12Å; E96-Y104 HydrophobicContact CB-CE1 4.32Å; E96-Y104 VanDerWaalsContact OE2-CE1 3.26Å; E96-Y104 WeakPolarHBondContact OE2-CE1 3.19Å
97	H	94.3	Very high	94.9	Very high	20 Å²	20	53.4 Å²	53.4	9%	0.093	30%	0.301	C	S	.	.			trans	-102.3	132.4	169.7	-64.9	-49.5	0	0	0	109.3	E79 Q80 Y95 T99 K100 F105	E79-H97 WeakPolarHBondContact CG-CE1 3.5Å; E79-H97 IonicContact OE1-CE1 2.84Å; E79-H97 PolarHBondContact OE1-CE1 3.24Å; E79-H97 IonicContact OE1-NE2 3.87Å; E79-H97 PolarHBondContact OE1-NE2 3.38Å; Q80-H97 PolarHBondContact O-ND1 3.22Å; Y95-H97 AromaticContact CE2-CE1 3.72Å; Y95-H97 AromaticContact CE2-NE2 3.68Å; H97-T99 PolarHBondContact O-N 2.77Å; H97-T99 VanDerWaalsContact O-N 3.12Å; H97-K100 CarbonylContact O-C 3.58Å; H97-K100 PolarHBondContact O-N 2.83Å; H97-F105 AromaticContact CD2-CD2 3.94Å; H97-F105 AromaticContact CD2-CE2 3.21Å; H97-F105 WeakPolarHBondContact CD2-CE2 3.31Å; H97-F105 AromaticContact CD2-CZ 3.69Å; H97-F105 AromaticContact NE2-CD2 3.99Å; H97-F105 AromaticContact NE2-CE2 3.62Å; H97-F105 AromaticContact NE2-CZ 3.98Å
98	P	91.5	Very high	94.8	Very high	73 Å²	73	51.6 Å²	51.6	47%	0.474	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.1	178	25.1	-33.6	0	0	0	112.5	Q80 K100	Q80-P98 HydrophobicContact CB-CG 4.24Å; Q80-P98 HydrophobicContact CG-CG 4.13Å; P98-K100 VanDerWaalsContact C-N 3.29Å; P98-K100 PolarHBondContact O-N 3.08Å
99	T	90.5	Very high	94.6	Very high	131 Å²	131	50.6 Å²	50.6	80%	0.804	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-20.4	177.1	-40.2	0	0	0	0	113.5	H97	H97-T99 PolarHBondContact O-N 2.77Å; H97-T99 VanDerWaalsContact O-N 3.12Å
100	K	89.3	Confident	94.5	Very high	126 Å²	126	47.8 Å²	47.8	55%	0.548	28%	0.277	S	S	.	.	S	Bend	trans	-131.6	79.7	-174.3	-65.8	-173.7	-179.5	-177.3	0	110.6	H97 P98 V103	H97-K100 CarbonylContact O-C 3.58Å; H97-K100 PolarHBondContact O-N 2.83Å; P98-K100 VanDerWaalsContact C-N 3.29Å; P98-K100 PolarHBondContact O-N 3.08Å; K100-V103 HydrophobicContact CB-CB 4.35Å; K100-V103 HydrophobicContact CB-CG2 4.48Å; K100-V103 PolarHBondContact O-N 3.34Å
101	A	89.8	Confident	94.5	Very high	98 Å²	98	46.9 Å²	46.9	81%	0.81	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	142.2	172	0	0	0	0	0	111	V103	A101-V103 VanDerWaalsContact C-N 3.29Å; A101-V103 PolarHBondContact O-N 2.97Å
102	G	91.3	Very high	94.4	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	4.8	-179.2	0	0	0	0	0	115.2	E55	E55-G102 WeakPolarHBondContact CG-O 2.92Å; E55-G102 PolarHBondContact N-O 3.13Å
103	V	95.4	Very high	94.3	Very high	25 Å²	25	46 Å²	46	15%	0.152	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.2	173.9	-176.1	0	0	0	0	110.1	V52 L53 K100 A101 F105	V52-V103 HydrophobicContact CG1-CG1 3.72Å; L53-V103 CarbonylContact O-C 3.54Å; L53-V103 WeakPolarHBondContact O-CA 3.44Å; K100-V103 HydrophobicContact CB-CB 4.35Å; K100-V103 HydrophobicContact CB-CG2 4.48Å; K100-V103 PolarHBondContact O-N 3.34Å; A101-V103 VanDerWaalsContact C-N 3.29Å; A101-V103 PolarHBondContact O-N 2.97Å; V103-F105 HydrophobicContact CG1-CE2 3.98Å; V103-F105 HydrophobicContact CG1-CZ 3.89Å
104	Y	97	Very high	93.8	Very high	38 Å²	38	49.9 Å²	49.9	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.7	176.8	-61.1	-91.3	0	0	0	110.6	L53 F60 I62 E96	L53-Y104 PolarHBondContact N-O 2.99Å; L53-Y104 PolarHBondContact O-N 3.2Å; F60-Y104 AromaticContact CE2-CD2 3.74Å; F60-Y104 HydrophobicContact CE2-CD2 3.74Å; F60-Y104 HydrophobicContact CE2-CE2 4.16Å; F60-Y104 AromaticContact CZ-CD2 3.81Å; F60-Y104 HydrophobicContact CZ-CD2 3.81Å; F60-Y104 HydrophobicContact CZ-CE2 4.33Å; I62-Y104 HydrophobicContact CD1-CD1 3.5Å; I62-Y104 HydrophobicContact CD1-CD2 3.94Å; I62-Y104 HydrophobicContact CD1-CE1 3.32Å; I62-Y104 HydrophobicContact CD1-CE2 3.78Å; I62-Y104 HydrophobicContact CD1-CG 3.8Å; I62-Y104 VanDerWaalsContact CD1-CZ 3.47Å; E96-Y104 HydrophobicContact CB-CD1 4.12Å; E96-Y104 HydrophobicContact CB-CE1 4.32Å; E96-Y104 VanDerWaalsContact OE2-CE1 3.26Å; E96-Y104 WeakPolarHBondContact OE2-CE1 3.19Å
105	F	97.1	Very high	93.1	Very high	13 Å²	13	57.5 Å²	57.5	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.8	176.8	-61.1	-90.4	0	0	0	108.8	A50 V52 F94 Y95 H97 V103	A50-F105 HydrophobicContact CB-CB 4.05Å; V52-F105 HydrophobicContact CG1-CE1 4.35Å; V52-F105 HydrophobicContact CG2-CD1 4.01Å; V52-F105 HydrophobicContact CG2-CE1 3.86Å; F94-F105 CarbonylContact C-O 3.55Å; F94-F105 VanDerWaalsContact CA-O 3.25Å; F94-F105 WeakPolarHBondContact CA-O 3.4Å; Y95-F105 HydrophobicContact CD1-CB 3.85Å; Y95-F105 HydrophobicContact CD2-CB 3.8Å; Y95-F105 AromaticContact CD2-CD2 3.88Å; Y95-F105 HydrophobicContact CD2-CD2 3.88Å; Y95-F105 HydrophobicContact CD2-CG 4.1Å; Y95-F105 HydrophobicContact CE1-CB 3.41Å; Y95-F105 VanDerWaalsContact CE1-CB 3.41Å; Y95-F105 HydrophobicContact CE1-CG 4.35Å; Y95-F105 HydrophobicContact CE2-CB 3.32Å; Y95-F105 HydrophobicContact CE2-CD1 4.25Å; Y95-F105 AromaticContact CE2-CD2 3.49Å; Y95-F105 HydrophobicContact CE2-CD2 3.49Å; Y95-F105 VanDerWaalsContact CE2-CD2 3.49Å; Y95-F105 HydrophobicContact CE2-CE2 4.4Å; Y95-F105 AromaticContact CE2-CG 3.41Å; Y95-F105 HydrophobicContact CE2-CG 3.41Å; Y95-F105 VanDerWaalsContact CE2-CG 3.41Å; Y95-F105 HydrophobicContact CG-CB 4.03Å; Y95-F105 AromaticContact CZ-CG 3.57Å; Y95-F105 PolarHBondContact N-O 2.84Å; Y95-F105 PolarHBondContact O-N 3.03Å; Y95-F105 WeakPolarHBondContact OH-CB 3.38Å; H97-F105 AromaticContact CD2-CD2 3.94Å; H97-F105 AromaticContact CD2-CE2 3.21Å; H97-F105 WeakPolarHBondContact CD2-CE2 3.31Å; H97-F105 AromaticContact CD2-CZ 3.69Å; H97-F105 AromaticContact NE2-CD2 3.99Å; H97-F105 AromaticContact NE2-CE2 3.62Å; H97-F105 AromaticContact NE2-CZ 3.98Å; V103-F105 HydrophobicContact CG1-CE2 3.98Å; V103-F105 HydrophobicContact CG1-CZ 3.89Å
106	L	97.2	Very high	92.4	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.1	175.8	169	69.1	0	0	0	108.9	L33 I39 A50 R51 L53 F94 S110 V111	L33-L106 HydrophobicContact CD2-CD2 4.42Å; I39-L106 HydrophobicContact CD1-CD2 3.94Å; I39-L106 HydrophobicContact CG1-CD2 4.31Å; I39-L106 HydrophobicContact CG2-CD2 4.24Å; A50-L106 CarbonylContact C-O 3.58Å; A50-L106 VanDerWaalsContact CA-O 3.22Å; A50-L106 WeakPolarHBondContact CA-O 3.33Å; A50-L106 VanDerWaalsContact CB-O 3.31Å; A50-L106 WeakPolarHBondContact CB-O 3.27Å; R51-L106 HydrophobicContact CB-CB 4.17Å; R51-L106 HydrophobicContact CB-CD2 4.23Å; R51-L106 PolarHBondContact N-O 2.84Å; R51-L106 PolarHBondContact O-N 3.02Å; L53-L106 HydrophobicContact CD1-CB 4.37Å; F94-L106 HydrophobicContact CD1-CB 4.1Å; F94-L106 HydrophobicContact CD1-CD1 3.8Å; F94-L106 HydrophobicContact CE1-CB 4.21Å; F94-L106 HydrophobicContact CE1-CD1 3.4Å; F94-L106 VanDerWaalsContact CE1-CD1 3.4Å; F94-L106 HydrophobicContact CE1-CG 4.36Å; F94-L106 HydrophobicContact CZ-CD1 4.09Å; L106-S110 WeakPolarHBondContact CD1-OG 3.3Å; L106-V111 HydrophobicContact CD1-CB 4.38Å; L106-V111 HydrophobicContact CD1-CG1 3.78Å; L106-V111 HydrophobicContact CD1-CG2 3.73Å; L106-V111 HydrophobicContact CD2-CG2 3.7Å; L106-V111 HydrophobicContact CG-CG2 4.3Å
107	K	96.1	Very high	91.6	Very high	91 Å²	91	63.9 Å²	63.9	40%	0.396	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.4	177.6	-172.6	-161.8	-173	-169.3	0	110.4	F92 L93 N109 S110	F92-K107 HydrophobicContact CD1-CD 3.49Å; F92-K107 VanDerWaalsContact CD1-CD 3.49Å; F92-K107 HydrophobicContact CD1-CG 4.31Å; F92-K107 HydrophobicContact CE1-CB 4.47Å; F92-K107 HydrophobicContact CE1-CD 3.82Å; F92-K107 HydrophobicContact CE1-CG 4.15Å; F92-K107 HydrophobicContact CG-CD 4.21Å; F92-K107 WeakPolarHBondContact O-CD 3.4Å; L93-K107 VanDerWaalsContact O-CB 3.3Å; L93-K107 WeakPolarHBondContact O-CB 3.46Å; L93-K107 PolarHBondContact O-N 3.17Å; K107-N109 PolarHBondContact O-N 3.2Å; K107-S110 VanDerWaalsContact O-CB 3.3Å; K107-S110 WeakPolarHBondContact O-CB 3.33Å; K107-S110 PolarHBondContact O-N 3.03Å; K107-S110 PolarHBondContact O-OG 3.12Å
108	E	94.2	Very high	90.5	Very high	75 Å²	75	67.6 Å²	67.6	35%	0.35	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.5	177.3	-170.8	173.2	-148.8	0	0	111.6	R49 S110	R49-E108 IonicContact CZ-OE1 2.88Å; R49-E108 VanDerWaalsContact CZ-OE1 3.28Å; R49-E108 IonicContact NE-OE1 3.38Å; R49-E108 PolarHBondContact NE-OE1 3.44Å; R49-E108 IonicContact NE-OE2 2.61Å; R49-E108 PolarHBondContact NE-OE2 3.45Å; R49-E108 IonicContact NH2-OE1 2.84Å; R49-E108 PolarHBondContact NH2-OE1 3.01Å; E108-S110 PolarHBondContact O-N 2.8Å; E108-S110 VanDerWaalsContact O-N 3.09Å
109	N	92.5	Very high	89.3	Confident	120 Å²	120	69.4 Å²	69.4	64%	0.642	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	26.8	177.3	-57.7	-33.5	0	0	0	115.3	K27 K107	K27-N109 WeakPolarHBondContact CE-O 3.31Å; K27-N109 PolarHBondContact NZ-O 2.85Å; K107-N109 PolarHBondContact O-N 3.2Å
110	S	94	Very high	87.7	Confident	8 Å²	8	68.6 Å²	68.6	6%	0.056	38%	0.379	C	S	.	.	S	Bend	trans	-88.6	-26.5	179.3	64.1	0	0	0	0	114	L93 L106 K107 E108	L93-S110 WeakPolarHBondContact CD2-O 3.21Å; L93-S110 PolarHBondContact O-OG 2.75Å; L106-S110 WeakPolarHBondContact CD1-OG 3.3Å; K107-S110 VanDerWaalsContact O-CB 3.3Å; K107-S110 WeakPolarHBondContact O-CB 3.33Å; K107-S110 PolarHBondContact O-N 3.03Å; K107-S110 PolarHBondContact O-OG 3.12Å; E108-S110 PolarHBondContact O-N 2.8Å; E108-S110 VanDerWaalsContact O-N 3.09Å
111	V	95.4	Very high	85.8	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.079	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.4	177.9	-58.5	0	0	0	0	111.1	Y25 A32 I39 L93 F94 L106	Y25-V111 CarbonylContact O-C 3.48Å; Y25-V111 VanDerWaalsContact O-CA 3.23Å; Y25-V111 WeakPolarHBondContact O-CA 3.31Å; A32-V111 HydrophobicContact CB-CG1 3.67Å; I39-V111 HydrophobicContact CD1-CG2 3.39Å; L93-V111 HydrophobicContact CD2-CG1 4.43Å; F94-V111 HydrophobicContact CZ-CG1 4.34Å; L106-V111 HydrophobicContact CD1-CB 4.38Å; L106-V111 HydrophobicContact CD1-CG1 3.78Å; L106-V111 HydrophobicContact CD1-CG2 3.73Å; L106-V111 HydrophobicContact CD2-CG2 3.7Å; L106-V111 HydrophobicContact CG-CG2 4.3Å
112	L	94.7	Very high	83.6	Confident	49 Å²	49	69.2 Å²	69.2	26%	0.257	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140	-178.7	-61.3	176.2	0	0	0	109.7	Y24 Y25 K27 Q116 I117	Y24-L112 WeakPolarHBondContact CA-O 3.43Å; Y25-L112 PolarHBondContact N-O 2.91Å; Y25-L112 PolarHBondContact O-N 2.83Å; K27-L112 HydrophobicContact CG-CD1 4.38Å; L112-Q116 HydrophobicContact CB-CB 4.14Å; L112-Q116 HydrophobicContact CD2-CB 4.31Å; L112-I117 HydrophobicContact CB-CD1 4.32Å; L112-I117 HydrophobicContact CB-CG1 3.85Å; L112-I117 HydrophobicContact CD1-CG1 4.32Å
113	G	93.6	Very high	81.6	Confident	12 Å²	12	75.4 Å²	75.4	12%	0.124	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	163.5	171.1	0	0	0	0	0	111.6	K115 Q116 I117	G113-K115 PolarHBondContact O-N 2.84Å; G113-K115 VanDerWaalsContact O-N 3.14Å; G113-Q116 VanDerWaalsContact N-OE1 3.13Å; G113-Q116 PolarHBondContact O-N 3.09Å; G113-I117 PolarHBondContact O-N 2.84Å
114	V	86.5	Confident	78.9	Confident	85 Å²	85	81.5 Å²	81.5	52%	0.515	43%	0.431	S	S	.	.	H	α-helix	trans	-49	-43.6	177.9	-179.9	0	0	0	0	112.1	Y25 Q116 I117	Y25-V114 HydrophobicContact CE2-CG2 3.79Å; V114-Q116 PolarHBondContact O-N 2.95Å; V114-I117 PolarHBondContact O-N 3.03Å
115	K	82.5	Confident	75.7	Confident	159 Å²	159	82.1 Å²	82.1	69%	0.691	45%	0.449	S	S	*	.	H	α-helix	trans	-61.7	-28.3	-179.8	-61.4	-174.5	-178.9	-177	0	113.8	G113 L123	G113-K115 PolarHBondContact O-N 2.84Å; G113-K115 VanDerWaalsContact O-N 3.14Å; K115-L123 HydrophobicContact CD-CD1 4.25Å; K115-L123 HydrophobicContact CG-CD1 4.31Å
116	Q	81.1	Confident	72.9	Confident	124 Å²	124	90.3 Å²	90.3	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-87.2	-27.1	-175.9	-70.8	175	-36.4	0	0	112.8	L112 G113 V114	L112-Q116 HydrophobicContact CB-CB 4.14Å; L112-Q116 HydrophobicContact CD2-CB 4.31Å; G113-Q116 VanDerWaalsContact N-OE1 3.13Å; G113-Q116 PolarHBondContact O-N 3.09Å; V114-Q116 PolarHBondContact O-N 2.95Å
117	I	79.2	Confident	70.1	Confident	59 Å²	59	95.2 Å²	95.2	30%	0.303	53%	0.528	S	S	.	.	H	α-helix	trans	-75.4	-37.6	-178.5	-62	160.6	0	0	0	109.9	Y25 L112 G113 V114	Y25-I117 VanDerWaalsContact CB-CD1 3.49Å; Y25-I117 HydrophobicContact CD2-CD1 3.19Å; Y25-I117 HydrophobicContact CE2-CD1 4.06Å; Y25-I117 HydrophobicContact CG-CD1 3.48Å; Y25-I117 VanDerWaalsContact CG-CD1 3.48Å; L112-I117 HydrophobicContact CB-CD1 4.32Å; L112-I117 HydrophobicContact CB-CG1 3.85Å; L112-I117 HydrophobicContact CD1-CG1 4.32Å; G113-I117 PolarHBondContact O-N 2.84Å; V114-I117 PolarHBondContact O-N 3.03Å
118	N	72.8	Confident	67.3	Low	98 Å²	98	98.3 Å²	98.3	52%	0.524	55%	0.545	S	S	.	.			trans	-125.7	81.1	-179.6	-65.4	-30.5	0	0	0	110	S120 A121	N118-S120 PolarHBondContact O-N 2.75Å; N118-S120 VanDerWaalsContact O-N 3.13Å; N118-A121 HydrophobicContact CB-CB 4.13Å; N118-A121 PolarHBondContact O-N 2.79Å
119	P	64.7	Low	64.4	Low	112 Å²	112	101.1 Å²	101.1	73%	0.727	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-17.2	-179.9	24	-32.3	0	0	0	113.5
120	S	56.9	Low	61.8	Low	113 Å²	113	101.7 Å²	101.7	79%	0.79	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-0.5	179.6	-53.9	0	0	0	0	114.6	N118 K122	N118-S120 PolarHBondContact O-N 2.75Å; N118-S120 VanDerWaalsContact O-N 3.13Å; S120-K122 PolarHBondContact O-N 2.87Å
121	A	51	Low	58.8	Low	67 Å²	67	109.3 Å²	109.3	55%	0.554	60%	0.602	S	S	*	*			trans	-74.3	93	170.4	0	0	0	0	0	108.4	N118 L123	N118-A121 HydrophobicContact CB-CB 4.13Å; N118-A121 PolarHBondContact O-N 2.79Å; A121-L123 PolarHBondContact O-N 3.25Å; A121-L123 VanDerWaalsContact O-N 3.08Å
122	K	41.7	Very low	55.8	Low	171 Å²	171	117.3 Å²	117.3	74%	0.743	64%	0.635	S	S	*	*			trans	-51.2	118.4	163.6	-74.8	-177.4	175.7	-175	0	107	S120 E124	S120-K122 PolarHBondContact O-N 2.87Å; K122-E124 HydrophobicContact CB-CG 4.49Å; K122-E124 PolarHBondContact O-N 3.39Å
123	L	51.1	Low	52.8	Low	146 Å²	146	120.4 Å²	120.4	76%	0.764	66%	0.656	S	S	*	*			trans	-68.9	68.1	169.3	-84.2	144	0	0	0	108.7	K115 A121	K115-L123 HydrophobicContact CD-CD1 4.25Å; K115-L123 HydrophobicContact CG-CD1 4.31Å; A121-L123 PolarHBondContact O-N 3.25Å; A121-L123 VanDerWaalsContact O-N 3.08Å
124	E	37	Very low	49.9	Very low	153 Å²	153	128 Å²	128	72%	0.715	69%	0.686	S	S	*	*			trans	-109.1	94.5	163	-71.7	179.2	-162.5	0	0	105.9	K122	K122-E124 HydrophobicContact CB-CG 4.49Å; K122-E124 PolarHBondContact O-N 3.39Å
125	G	30.6	Very low	47.4	Very low	52 Å²	52	130.8 Å²	130.8	54%	0.536	70%	0.697	S	S	.	*			trans	72.4	60.5	152.8	0	0	0	0	0	119.2
126	E	37.8	Very low	45.1	Very low	184 Å²	184	128.6 Å²	128.6	86%	0.86	70%	0.699	S	S	*	*			trans	-115.9	58.5	150	-86.2	164.2	118.1	0	0	110.6
127	A	37.9	Very low	42.8	Very low	108 Å²	108	127.7 Å²	127.7	89%	0.893	71%	0.706	S	S	*	*			trans	-79.3	23.1	141	0	0	0	0	0	110.9
128	Q	38.9	Very low	40.6	Very low	157 Å²	157	130.5 Å²	130.5	73%	0.734	73%	0.729	S	S	*	*	S	Bend	trans	-105.5	105.4	-178.2	-64.6	-172.2	0.7	0	0	108.7
129	N	32.9	Very low	38.8	Very low	134 Å²	134	131 Å²	131	72%	0.717	74%	0.736	S	S	*	*			trans	76.7	49.5	155.9	-145.3	-17.6	0	0	0	118.5	K131	N129-K131 PolarHBondContact OD1-N 2.68Å
130	V	37	Very low	37.6	Very low	131 Å²	131	136.9 Å²	136.9	79%	0.794	74%	0.744	S	S	*	*	S	Bend		-79	115.9	122.8	-176.9	0	0	0	0	103	K132	V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 2.92Å
131	K	32	Very low	36.7	Very low	169 Å²	169	139.7 Å²	139.7	74%	0.735	75%	0.746	S	S	*	*			trans	-41.4	107.3	162.8	-73.5	-178.4	179.8	-177.1	0	104.8	N129 V133	N129-K131 PolarHBondContact OD1-N 2.68Å; K131-V133 PolarHBondContact O-N 3.33Å
132	K	30.9	Very low	36.4	Very low	181 Å²	181	142.4 Å²	142.4	79%	0.787	76%	0.756	S	S	*	*			trans	-56.8	97.3	165	-82.9	179.9	176.2	176.9	0	101.7	V130 K134	V130-K132 VanDerWaalsContact C-N 3.28Å; V130-K132 PolarHBondContact O-N 2.92Å; K132-K134 HydrophobicContact CB-CG 4.19Å; K132-K134 PolarHBondContact O-N 2.78Å
133	V	32.2	Very low	36.4	Very low	114 Å²	114	144.1 Å²	144.1	69%	0.691	76%	0.763	S	S	*	*			trans	-66.2	80	157.1	-178.5	0	0	0	0	101.6	K131 L135	K131-V133 PolarHBondContact O-N 3.33Å; V133-L135 HydrophobicContact CG1-CD1 4.23Å; V133-L135 PolarHBondContact O-N 3.09Å
134	K	32.3	Very low	36.1	Very low	172 Å²	172	144.1 Å²	144.1	75%	0.748	76%	0.764	S	S	*	*			trans	-58.5	93.8	156.5	-73.7	-178.6	178.3	177.6	0	101.4	K132 P136	K132-K134 HydrophobicContact CB-CG 4.19Å; K132-K134 PolarHBondContact O-N 2.78Å; K134-P136 WeakPolarHBondContact O-CD 3.41Å; K134-P136 VanDerWaalsContact O-N 3.08Å
135	L	35	Very low	36.6	Very low	143 Å²	143	143.1 Å²	143.1	75%	0.749	77%	0.774	S	S	*	*			trans	-51.5	122.2	162.7	-88.8	96.7	0	0	0	104.6	V133 S137	V133-L135 HydrophobicContact CG1-CD1 4.23Å; V133-L135 PolarHBondContact O-N 3.09Å; L135-S137 PolarHBondContact O-N 3.22Å
136	P	34	Very low	37.3	Very low	112 Å²	112	144 Å²	144	73%	0.727	78%	0.783	S	S	*	*			trans	-62.3	108.1	178.9	23	-29.1	0	0	0	106.6	K134 C138	K134-P136 WeakPolarHBondContact O-CD 3.41Å; K134-P136 VanDerWaalsContact O-N 3.08Å; P136-C138 VanDerWaalsContact C-N 3.31Å; P136-C138 PolarHBondContact O-N 2.88Å
137	S	33.7	Very low	37.7	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	79%	0.787	S	S	*	*			trans	-60.5	100.9	167.4	178.2	0	0	0	0	106.4	L135 V139	L135-S137 PolarHBondContact O-N 3.22Å; S137-V139 VanDerWaalsContact C-N 3.3Å; S137-V139 PolarHBondContact O-N 2.81Å
138	C	32.2	Very low	37.6	Very low	118 Å²	118	150.8 Å²	150.8	80%	0.797	79%	0.79	S	S	*	*			trans	-78.7	85.6	177.7	27.4	0	0	0	0	107.9	P136 R140	P136-C138 VanDerWaalsContact C-N 3.31Å; P136-C138 PolarHBondContact O-N 2.88Å; C138-R140 PolarHBondContact O-N 3.41Å; C138-R140 VanDerWaalsContact O-N 3.13Å
139	V	35.2	Very low	37.7	Very low	110 Å²	110	146.6 Å²	146.6	67%	0.667	79%	0.789	S	S	*	*			trans	-73.2	98.8	166.1	-178	0	0	0	0	107.5	S137 M141	S137-V139 VanDerWaalsContact C-N 3.3Å; S137-V139 PolarHBondContact O-N 2.81Å; V139-M141 HydrophobicContact CG1-CG 4.26Å; V139-M141 PolarHBondContact O-N 3.12Å
140	R	39.1	Very low	38	Very low	234 Å²	234	145.4 Å²	145.4	88%	0.883	79%	0.791	S	S	*	*			trans	-76.1	108.9	166.2	-83.4	-175.3	-170.1	151.7	5.8	108.9	C138	C138-R140 PolarHBondContact O-N 3.41Å; C138-R140 VanDerWaalsContact O-N 3.13Å
141	M	37.3	Very low	38	Very low	172 Å²	172	144.8 Å²	144.8	85%	0.847	79%	0.788	S	S	*	*			trans	-84	122.5	164.3	-66.7	-131.4	-152.8	0	0	110.1	V139	V139-M141 HydrophobicContact CG1-CG 4.26Å; V139-M141 PolarHBondContact O-N 3.12Å
142	V	45.2	Very low	38.7	Very low	125 Å²	125	143.4 Å²	143.4	76%	0.758	79%	0.794	S	S	*	*			trans	-81.2	121.1	172	175.4	0	0	0	0	108.3	N144	V142-N144 PolarHBondContact O-N 3.03Å
143	K	42.7	Very low	39	Very low	206 Å²	206	140.7 Å²	140.7	90%	0.896	79%	0.792	S	S	*	*			trans	-74.8	105.4	168.3	-78.2	178.4	178.3	174.8	0	108.9
144	N	43.7	Very low	39.4	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	80%	0.795	S	S	*	*			trans	-106.5	134.4	149.6	-96.4	37.2	0	0	0	108.5	V142 G146	V142-N144 PolarHBondContact O-N 3.03Å; N144-G146 PolarHBondContact O-N 3.26Å
145	S	48.2	Very low	40.6	Very low	132 Å²	132	138.6 Å²	138.6	92%	0.923	80%	0.799	S	S	*	*	S	Bend	trans	-38.2	113.1	-177.1	-46.8	0	0	0	0	114.8
146	G	45	Very low	41.8	Very low	70 Å²	70	139 Å²	139	72%	0.722	80%	0.8	S	S	*	*	S	Bend	trans	124.2	114.4	157.7	0	0	0	0	0	116.1	N144	N144-G146 PolarHBondContact O-N 3.26Å
147	K	47	Very low	42.6	Very low	216 Å²	216	141.2 Å²	141.2	94%	0.939	81%	0.805	S	S	*	*			trans	79.4	134.6	162	-89.1	158.8	172.8	164.6	0	118.9
148	F	34.1	Very low	43.5	Very low	219 Å²	219	145.1 Å²	145.1	96%	0.961	81%	0.812	S	S	*	*			trans	-80.2	157.7	-164	-89.7	-104.3	0	0	0	115.1
149	G	41.9	Very low	44.6	Very low	70 Å²	70	148.5 Å²	148.5	72%	0.722	82%	0.816	S	S	*	*			trans	-166.9	104.4	155.4	0	0	0	0	0	113.5
150	S	40	Very low	45.4	Very low	109 Å²	109	153 Å²	153	76%	0.762	83%	0.83	S	S	*	*			trans	34.5	104	155.4	-167.7	0	0	0	0	119.4
151	V	36.3	Very low	46.2	Very low	118 Å²	118	150.4 Å²	150.4	72%	0.715	83%	0.828	S	S	*	*				49.5	109.4	78.8	-169.3	0	0	0	0	115.5	V153	V151-V153 HydrophobicContact CG1-CG2 4.27Å
152	T	46	Very low	47	Very low	140 Å²	140	150.4 Å²	150.4	86%	0.859	83%	0.826	S	S	*	*			trans	-138	130.7	138.8	50.2	0	0	0	0	108.3
153	V	37.3	Very low	47.2	Very low	124 Å²	124	153 Å²	153	75%	0.752	83%	0.834	S	S	*	*			trans	-104.6	128.7	176.7	177.1	0	0	0	0	107	V151	V151-V153 HydrophobicContact CG1-CG2 4.27Å
154	S	40.4	Very low	47.2	Very low	107 Å²	107	151.9 Å²	151.9	75%	0.748	83%	0.832	S	S	*	*			trans	-126.8	120	164.5	-57.9	0	0	0	0	106.9
155	T	58.3	Low	46.9	Very low	135 Å²	135	149.6 Å²	149.6	83%	0.828	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-59.5	127.5	171.2	41	0	0	0	0	109.2
156	I	59.5	Low	46.6	Very low	152 Å²	152	149.7 Å²	149.7	78%	0.779	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-99.1	124.4	166.4	-84.8	169.4	0	0	0	105.5
157	D	51.3	Low	46.1	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.9	168.2	-79.4	-41.4	0	0	0	109.1	E159	D157-E159 PolarHBondContact O-N 3.13Å
158	E	53.7	Low	45.5	Very low	188 Å²	188	145.9 Å²	145.9	88%	0.879	82%	0.817	S	S	*	*			trans	-89	76.7	179.4	-67.7	-179.7	155.5	0	0	110.4
159	E	55.2	Low	45.4	Very low	188 Å²	188	145.9 Å²	145.9	88%	0.879	81%	0.81	S	S	*	*			trans	-148.1	77.1	167.7	-70.6	-170.8	169.1	0	0	111.3	D157	D157-E159 PolarHBondContact O-N 3.13Å
160	E	50.5	Low	44.9	Very low	206 Å²	206	149.2 Å²	149.2	96%	0.963	81%	0.812	S	S	*	*			trans	-175.1	110.6	138.9	-127.3	-179.5	158.6	0	0	109.2
161	E	57.3	Low	44.8	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	80%	0.802	S	S	*	*			trans	-84.6	156.5	-177.1	-150.2	171.8	178.9	0	0	110.8
162	E	53.3	Low	45	Very low	171 Å²	171	147.7 Å²	147.7	80%	0.799	81%	0.811	S	S	*	*			trans	76.2	79.2	165.2	-56.6	-174.2	152.9	0	0	120
163	L	49.3	Very low	44.8	Very low	179 Å²	179	145 Å²	145	94%	0.937	80%	0.795	S	S	*	*			trans	-129.8	111.3	133	-82.6	172.1	0	0	0	108.8	A165	L163-A165 PolarHBondContact O-N 3.37Å
164	E	43.1	Very low	45.5	Very low	184 Å²	184	145.3 Å²	145.3	86%	0.86	79%	0.792	S	S	*	*			trans	-52.9	123	-176.6	-67.5	-173.6	153.6	0	0	112.3	V166	E164-V166 PolarHBondContact O-N 2.94Å
165	A	37.4	Very low	45.8	Very low	98 Å²	98	142.8 Å²	142.8	81%	0.81	78%	0.775	S	S	*	*			trans	-69	93.7	165	0	0	0	0	0	109.7	L163 S167	L163-A165 PolarHBondContact O-N 3.37Å; A165-S167 VanDerWaalsContact C-N 3.29Å; A165-S167 PolarHBondContact O-N 2.61Å; A165-S167 VanDerWaalsContact O-N 3.16Å
166	V	41.1	Very low	45.4	Very low	133 Å²	133	140 Å²	140	81%	0.806	76%	0.758	S	S	*	*			trans	-79	96.9	149.3	175.2	0	0	0	0	107.2	E164	E164-V166 PolarHBondContact O-N 2.94Å
167	S	34.7	Very low	45	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	74%	0.739	S	S	*	*			trans	-35.5	139.1	174.2	60	0	0	0	0	114	A165 R169	A165-S167 VanDerWaalsContact C-N 3.29Å; A165-S167 PolarHBondContact O-N 2.61Å; A165-S167 VanDerWaalsContact O-N 3.16Å; S167-R169 PolarHBondContact O-N 2.95Å
168	C	34	Very low	45	Very low	110 Å²	110	134.6 Å²	134.6	74%	0.743	73%	0.727	S	S	*	*			trans	-26.7	128.2	148.9	-52.5	0	0	0	0	113.2
169	R	32.5	Very low	44.7	Very low	220 Å²	220	130.1 Å²	130.1	83%	0.83	71%	0.709	S	S	*	*				158.3	133.3	117.8	-83.5	157.7	-172.2	164.2	4	108.3	S167	S167-R169 PolarHBondContact O-N 2.95Å
170	N	31.8	Very low	44.3	Very low	140 Å²	140	125 Å²	125	75%	0.749	69%	0.694	S	S	*	*			trans	76.5	87.4	163.3	-42.7	-37.9	0	0	0	116.2
171	L	37.2	Very low	44	Very low	106 Å²	106	122 Å²	122	56%	0.555	68%	0.678	S	S	*	*			trans	-137	62.3	142	-73.6	-179.9	0	0	0	109.7	T173 S175 V177	L171-T173 WeakPolarHBondContact CD2-OG1 3.34Å; L171-T173 PolarHBondContact O-N 3.11Å; L171-S175 WeakPolarHBondContact CD2-OG 3.22Å; L171-V177 HydrophobicContact CD1-CG2 3.44Å; L171-V177 VanDerWaalsContact CD1-CG2 3.44Å
172	G	40.8	Very low	43.5	Very low	88 Å²	88	119.7 Å²	119.7	91%	0.907	67%	0.665	S	S	*	*			trans	-81.4	26.9	148.5	0	0	0	0	0	111.3
173	T	42.8	Very low	43.5	Very low	85 Å²	85	115.1 Å²	115.1	52%	0.521	65%	0.651	S	S	.	*	S	Bend	trans	-130.6	134.3	-179.6	51.9	0	0	0	0	108	L171 S175	L171-T173 WeakPolarHBondContact CD2-OG1 3.34Å; L171-T173 PolarHBondContact O-N 3.11Å; T173-S175 PolarHBondContact O-N 2.83Å; T173-S175 PolarHBondContact O-OG 2.96Å; T173-S175 PolarHBondContact OG1-OG 2.49Å
174	N	52.1	Low	44.5	Very low	129 Å²	129	109.9 Å²	109.9	69%	0.69	64%	0.641	S	S	*	*			trans	-64.1	34.4	177.4	-98.2	-38.6	0	0	0	113.7
175	S	47.2	Very low	45.5	Very low	55 Å²	55	107.3 Å²	107.3	39%	0.385	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-90.9	134.3	-179.3	42.7	0	0	0	0	110.8	L171 T173 V177	L171-S175 WeakPolarHBondContact CD2-OG 3.22Å; T173-S175 PolarHBondContact O-N 2.83Å; T173-S175 PolarHBondContact O-OG 2.96Å; T173-S175 PolarHBondContact OG1-OG 2.49Å; S175-V177 PolarHBondContact O-N 2.8Å
176	P	49.1	Very low	45.7	Very low	75 Å²	75	104.9 Å²	104.9	49%	0.487	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-60.7	134	-179.9	24.5	-33	0	0	0	110.9	T192	P176-T192 WeakPolarHBondContact CB-O 3.23Å
177	V	50.3	Low	46	Very low	62 Å²	62	105.3 Å²	105.3	38%	0.376	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-85.9	119.1	171.9	-173.6	0	0	0	0	107.6	L171 S175 L179	L171-V177 HydrophobicContact CD1-CG2 3.44Å; L171-V177 VanDerWaalsContact CD1-CG2 3.44Å; S175-V177 PolarHBondContact O-N 2.8Å; V177-L179 HydrophobicContact CG1-CG 4.25Å
178	K	52	Low	46.6	Very low	134 Å²	134	103.2 Å²	103.2	58%	0.583	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.9	120.8	166.1	-99.6	-175.6	-178.2	-173.6	0	108.4	M189 Q191	K178-M189 HydrophobicContact CD-SD 3.83Å; K178-M189 WeakPolarHBondContact CE-SD 3.15Å; K178-M189 HydrophobicContact CG-SD 4.16Å; K178-Q191 HydrophobicContact CG-CG 4.38Å
179	L	48	Very low	47	Very low	95 Å²	95	100.8 Å²	100.8	50%	0.497	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.1	118.6	167.6	-78.6	154.4	0	0	0	107.4	V177 L190	V177-L179 HydrophobicContact CG1-CG 4.25Å; L179-L190 HydrophobicContact CB-CB 4.12Å; L179-L190 PolarHBondContact N-O 3.34Å; L179-L190 PolarHBondContact O-N 3.09Å
180	S	46.2	Very low	47.9	Very low	80 Å²	80	92.8 Å²	92.8	56%	0.559	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.2	171.6	47.3	0	0	0	0	108.9	L188	S180-L188 CarbonylContact C-O 3.46Å; S180-L188 WeakPolarHBondContact CA-O 3.27Å
181	F	43.9	Very low	48.7	Very low	143 Å²	143	88.2 Å²	88.2	63%	0.627	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	133	174.8	-121.9	-94.4	0	0	0	108.9	L188	F181-L188 HydrophobicContact CB-CB 4.42Å; F181-L188 PolarHBondContact N-O 2.98Å; F181-L188 PolarHBondContact O-N 3.12Å
182	K	47.8	Very low	49.3	Very low	131 Å²	131	85.3 Å²	85.3	57%	0.57	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	120.2	173.9	-157.9	174.6	-178.6	-175.4	0	108.5	W187	K182-W187 HydrophobicContact CB-CE3 4.45Å; K182-W187 HydrophobicContact CB-CZ3 4.5Å; K182-W187 HydrophobicContact CD-CH2 4.25Å; K182-W187 HydrophobicContact CD-CZ2 3.89Å; K182-W187 HydrophobicContact CG-CD2 4.33Å; K182-W187 HydrophobicContact CG-CZ2 4.47Å
183	S	52	Low	49.4	Very low	74 Å²	74	86.6 Å²	86.6	52%	0.517	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102.1	176.7	175.5	0	0	0	0	108	S185 S186	S183-S185 PolarHBondContact O-N 2.87Å; S183-S186 PolarHBondContact N-O 2.82Å; S183-S186 PolarHBondContact O-N 2.85Å; S183-S186 VanDerWaalsContact O-N 3.08Å
184	G	70.7	Confident	49.3	Very low	69 Å²	69	89.8 Å²	89.8	71%	0.711	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-123.7	-172.5	0	0	0	0	0	112
185	S	63.4	Low	48.7	Very low	130 Å²	130	92 Å²	92	91%	0.909	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.2	178.2	-50.4	0	0	0	0	113.7	S183	S183-S185 PolarHBondContact O-N 2.87Å
186	S	42.7	Very low	48.3	Very low	47 Å²	47	93.5 Å²	93.5	33%	0.329	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.4	-175	-175.1	0	0	0	0	112.1	S183 M212	S183-S186 PolarHBondContact N-O 2.82Å; S183-S186 PolarHBondContact O-N 2.85Å; S183-S186 VanDerWaalsContact O-N 3.08Å; S186-M212 PolarHBondContact OG-O 3.03Å
187	W	48	Very low	47.7	Very low	143 Å²	143	93.3 Å²	93.3	54%	0.542	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.2	174	-72.2	89.4	0	0	0	109.7	K182	K182-W187 HydrophobicContact CB-CE3 4.45Å; K182-W187 HydrophobicContact CB-CZ3 4.5Å; K182-W187 HydrophobicContact CD-CH2 4.25Å; K182-W187 HydrophobicContact CD-CZ2 3.89Å; K182-W187 HydrophobicContact CG-CD2 4.33Å; K182-W187 HydrophobicContact CG-CZ2 4.47Å
188	L	45.7	Very low	47.8	Very low	51 Å²	51	99.6 Å²	99.6	27%	0.267	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.1	170.6	-81.8	149.6	0	0	0	108.7	S180 F181 I209 T211	S180-L188 CarbonylContact C-O 3.46Å; S180-L188 WeakPolarHBondContact CA-O 3.27Å; F181-L188 HydrophobicContact CB-CB 4.42Å; F181-L188 PolarHBondContact N-O 2.98Å; F181-L188 PolarHBondContact O-N 3.12Å; L188-I209 HydrophobicContact CD2-CG2 3.84Å; L188-T211 HydrophobicContact CD2-CG2 4.05Å
189	M	43.3	Very low	47.4	Very low	60 Å²	60	102.3 Å²	102.3	30%	0.296	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119	172.4	-154.5	-162.3	-56.7	0	0	109.4	K178	K178-M189 HydrophobicContact CD-SD 3.83Å; K178-M189 WeakPolarHBondContact CE-SD 3.15Å; K178-M189 HydrophobicContact CG-SD 4.16Å
190	L	51.1	Low	46.8	Very low	51 Å²	51	105.3 Å²	105.3	27%	0.267	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115	171.2	-84.1	148.4	0	0	0	108.3	L179 L207	L179-L190 HydrophobicContact CB-CB 4.12Å; L179-L190 PolarHBondContact N-O 3.34Å; L179-L190 PolarHBondContact O-N 3.09Å; L190-L207 HydrophobicContact CD2-CD1 3.33Å; L190-L207 HydrophobicContact CD2-CD2 4.47Å; L190-L207 HydrophobicContact CD2-CG 3.97Å
191	Q	48.4	Very low	46.4	Very low	45 Å²	45	111.8 Å²	111.8	21%	0.21	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.8	107.8	175	-148.2	173.7	2.7	0	0	108.2	K178 Y193	K178-Q191 HydrophobicContact CG-CG 4.38Å; Q191-Y193 HydrophobicContact CB-CD2 4.48Å; Q191-Y193 HydrophobicContact CB-CE2 4.02Å; Q191-Y193 VanDerWaalsContact CD-OH 3.28Å; Q191-Y193 HydrophobicContact CG-CD2 4.37Å; Q191-Y193 HydrophobicContact CG-CE2 3.74Å; Q191-Y193 PolarHBondContact NE2-OH 2.99Å; Q191-Y193 VanDerWaalsContact NE2-OH 3.1Å; Q191-Y193 PolarHBondContact OE1-OH 2.68Å
192	T	50.6	Low	46.2	Very low	44 Å²	44	110.9 Å²	110.9	27%	0.27	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	117.4	172.9	52	0	0	0	0	108.8	P176	P176-T192 WeakPolarHBondContact CB-O 3.23Å
193	Y	43.2	Very low	45.8	Very low	115 Å²	115	115 Å²	115	45%	0.451	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.5	119.8	171.4	-76.8	-90.9	0	0	0	109	Q191	Q191-Y193 HydrophobicContact CB-CD2 4.48Å; Q191-Y193 HydrophobicContact CB-CE2 4.02Å; Q191-Y193 VanDerWaalsContact CD-OH 3.28Å; Q191-Y193 HydrophobicContact CG-CD2 4.37Å; Q191-Y193 HydrophobicContact CG-CE2 3.74Å; Q191-Y193 PolarHBondContact NE2-OH 2.99Å; Q191-Y193 VanDerWaalsContact NE2-OH 3.1Å; Q191-Y193 PolarHBondContact OE1-OH 2.68Å
194	Y	40	Very low	45.3	Very low	153 Å²	153	117.6 Å²	117.6	60%	0.6	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.5	107.6	165.6	-101.7	-90.7	0	0	0	108.7	S196	Y194-S196 PolarHBondContact O-N 3.35Å
195	F	38.9	Very low	44.1	Very low	175 Å²	175	118.3 Å²	118.3	77%	0.768	57%	0.57	S	S	*	*			trans	-81.6	101.1	167.5	-124.6	-94.1	0	0	0	108.2	S197	F195-S197 PolarHBondContact O-N 2.94Å
196	S	40.2	Very low	43.2	Very low	86 Å²	86	117.4 Å²	117.4	60%	0.601	56%	0.555	S	S	*	*			trans	-86.2	88	169.9	-168.3	0	0	0	0	108.5	Y194	Y194-S196 PolarHBondContact O-N 3.35Å
197	S	36.5	Very low	43.3	Very low	71 Å²	71	120.7 Å²	120.7	50%	0.497	57%	0.568	S	S	.	*			trans	-76.4	127.4	164.9	-179.3	0	0	0	0	108.6	F195 Y199	F195-S197 PolarHBondContact O-N 2.94Å; S197-Y199 WeakPolarHBondContact CB-O 3.49Å; S197-Y199 PolarHBondContact O-N 2.85Å; S197-Y199 VanDerWaalsContact O-N 3.09Å; S197-Y199 PolarHBondContact OG-N 2.89Å; S197-Y199 PolarHBondContact OG-O 2.88Å
198	K	50.7	Low	43.1	Very low	194 Å²	194	118.4 Å²	118.4	84%	0.843	57%	0.566	S	S	*	*	S	Bend	trans	-66.7	-2.4	173.8	-83.4	-170.3	175	-179.2	0	113.7
199	Y	44.4	Very low	43.2	Very low	191 Å²	191	121.2 Å²	121.2	75%	0.749	58%	0.58	S	S	*	*	S	Bend	trans	-134.9	128.5	-177.4	-60.8	-90.1	0	0	0	106.6	S197	S197-Y199 WeakPolarHBondContact CB-O 3.49Å; S197-Y199 PolarHBondContact O-N 2.85Å; S197-Y199 VanDerWaalsContact O-N 3.09Å; S197-Y199 PolarHBondContact OG-N 2.89Å; S197-Y199 PolarHBondContact OG-O 2.88Å
200	H	35.5	Very low	43.3	Very low	158 Å²	158	121.1 Å²	121.1	73%	0.731	58%	0.582	S	S	*	*			trans	83.5	130.6	-178.1	-116.8	-108.7	0	0	0	117.3	E202	H200-E202 IonicContact CE1-OE2 3.55Å; H200-E202 IonicContact CG-OE2 3.98Å; H200-E202 IonicContact ND1-OE2 2.84Å; H200-E202 PolarHBondContact ND1-OE2 3.38Å; H200-E202 PolarHBondContact O-N 2.84Å
201	K	37.5	Very low	42.9	Very low	216 Å²	216	123.1 Å²	123.1	94%	0.939	60%	0.597	S	S	*	*	S	Bend	trans	-86.1	25.1	-170.4	-133.9	175.6	-173.2	179	0	112.8
202	E	40.7	Very low	42.5	Very low	124 Å²	124	126.6 Å²	126.6	58%	0.579	62%	0.615	S	S	*	*			trans	-103.4	110.7	-177.3	-84.7	162.3	145.3	0	0	110.8	H200 H204	H200-E202 IonicContact CE1-OE2 3.55Å; H200-E202 IonicContact CG-OE2 3.98Å; H200-E202 IonicContact ND1-OE2 2.84Å; H200-E202 PolarHBondContact ND1-OE2 3.38Å; H200-E202 PolarHBondContact O-N 2.84Å; E202-H204 PolarHBondContact O-N 2.76Å
203	R	38.1	Very low	42.3	Very low	218 Å²	218	135.8 Å²	135.8	82%	0.823	66%	0.662	S	S	*	*			trans	-87.9	95.3	170.9	-67.1	-178	-176.7	171.5	1.5	108.4
204	H	41.1	Very low	42.2	Very low	129 Å²	129	136.8 Å²	136.8	60%	0.597	67%	0.673	S	S	*	*			trans	-89.4	115	165.8	-75.4	-96.2	0	0	0	109.1	E202	E202-H204 PolarHBondContact O-N 2.76Å
205	A	46.4	Very low	42.4	Very low	84 Å²	84	135.9 Å²	135.9	69%	0.694	68%	0.676	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.3	109.2	165.6	0	0	0	0	0	107.8
206	N	45	Very low	42.5	Very low	111 Å²	111	133.8 Å²	133.8	59%	0.594	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.3	124.5	169.8	-74.3	-28.2	0	0	0	108.8
207	L	44.1	Very low	42.7	Very low	115 Å²	115	136.6 Å²	136.6	60%	0.602	68%	0.675	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.4	106.7	174.1	-165.4	74.9	0	0	0	108.2	L190 I209	L190-L207 HydrophobicContact CD2-CD1 3.33Å; L190-L207 HydrophobicContact CD2-CD2 4.47Å; L190-L207 HydrophobicContact CD2-CG 3.97Å; L207-I209 HydrophobicContact CD2-CD1 4.08Å; L207-I209 HydrophobicContact CD2-CG1 4.1Å; L207-I209 HydrophobicContact CG-CG1 4.22Å
208	L	43.2	Very low	43.1	Very low	96 Å²	96	140.7 Å²	140.7	50%	0.503	69%	0.687	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	116.5	165.8	-128.3	95.3	0	0	0	107.8	V210	L208-V210 HydrophobicContact CD2-CG2 3.92Å
209	I	49	Very low	42.6	Very low	109 Å²	109	137.1 Å²	137.1	56%	0.559	68%	0.676	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.5	112.2	168.8	-59.4	174.7	0	0	0	105.9	L188 L207	L188-I209 HydrophobicContact CD2-CG2 3.84Å; L207-I209 HydrophobicContact CD2-CD1 4.08Å; L207-I209 HydrophobicContact CD2-CG1 4.1Å; L207-I209 HydrophobicContact CG-CG1 4.22Å
210	V	45.5	Very low	42.4	Very low	58 Å²	58	133.3 Å²	133.3	35%	0.352	67%	0.671	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	111.8	171.4	-172.2	0	0	0	0	107	L208	L208-V210 HydrophobicContact CD2-CG2 3.92Å
211	T	42.2	Very low	43	Very low	94 Å²	94	131.4 Å²	131.4	58%	0.577	67%	0.666	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.8	123.7	165.2	48.9	0	0	0	0	107.5	L188	L188-T211 HydrophobicContact CD2-CG2 4.05Å
212	M	40.9	Very low	43.4	Very low	118 Å²	118	124.3 Å²	124.3	58%	0.581	64%	0.644	S	S	*	*			trans	-95.5	122.7	165.9	-55.5	-143.6	91	0	0	107.5	S186	S186-M212 PolarHBondContact OG-O 3.03Å
213	D	44.9	Very low	43.7	Very low	236 Å²	236	124.4 Å²	124.4	100%	1.262	65%	0.649	S	S	*	*			trans	-71.3	0	166.7	-69.1	-44.2	0	0	0	110.9

Retrieved 213 of 213 residues in 159.2 ms (Link to these results)

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