A0A023IKJ5_RAT Loading...

RT1-DOb

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A023IKJ5, Species RAT (Rattus norvegicus, Rat), Gene DOb, Length 272 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	43.6	Very low	38.2	Very low	259 Å²	259	140.7 Å²	140.7	100%	1.276	84%	0.835	S	S	*	*				0	90.9	0	-73.4	147.8	154.4	0	0	106.9
2	G	36.2	Very low	38.3	Very low	71 Å²	71	141.5 Å²	141.5	73%	0.732	83%	0.831	S	S	*	*			trans	-124.9	166.1	-174.6	0	0	0	0	0	110.8
3	A	30.7	Very low	38.5	Very low	114 Å²	114	142.8 Å²	142.8	94%	0.942	83%	0.831	S	S	*	*			trans	68.7	137.8	-179	0	0	0	0	0	113.7
4	G	30.1	Very low	38.6	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	82%	0.819	S	S	*	*			cis	175.2	149.6	5.2	0	0	0	0	0	105.1
5	R	34.6	Very low	38.8	Very low	260 Å²	260	141.1 Å²	141.1	98%	0.981	82%	0.818	S	S	*	*			trans	-124.9	89.5	165.1	-81.7	-168.9	-175.2	-168.4	2.5	108.7
6	A	36.7	Very low	38.8	Very low	85 Å²	85	141.4 Å²	141.4	70%	0.702	81%	0.814	S	S	*	*			trans	-134.9	171	148.9	0	0	0	0	0	106
7	P	46.9	Very low	39	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	82%	0.817	S	S	*	*				-118	146.8	-94.1	27.2	-9.6	0	0	0	110.5
8	W	34.2	Very low	39.3	Very low	246 Å²	246	147.7 Å²	147.7	93%	0.932	82%	0.818	S	S	*	*			trans	-122.1	103	170.9	-75.3	62.4	0	0	0	109.6
9	V	42.7	Very low	39.7	Very low	127 Å²	127	145.8 Å²	145.8	77%	0.77	81%	0.813	S	S	*	*			trans	-36.5	123.8	158.9	177.4	0	0	0	0	110.9	A11	V9-A11 HydrophobicContact CG1-CB 4.49Å
10	V	40.9	Very low	39.8	Very low	127 Å²	127	145.8 Å²	145.8	77%	0.77	81%	0.811	S	S	*	*			trans	-125.6	100.3	146.9	-179	0	0	0	0	106.4	L12	V10-L12 PolarHBondContact O-N 2.93Å
11	A	43.8	Very low	40	Very low	80 Å²	80	143.1 Å²	143.1	66%	0.661	80%	0.803	S	S	*	*			trans	-68.2	110.1	166.7	0	0	0	0	0	108.3	V9	V9-A11 HydrophobicContact CG1-CB 4.49Å
12	L	39.3	Very low	40.1	Very low	150 Å²	150	139.3 Å²	139.3	79%	0.785	78%	0.779	S	S	*	*			trans	-104.7	100.2	158.6	-90.2	161	0	0	0	107	V10 V14	V10-L12 PolarHBondContact O-N 2.93Å; L12-V14 PolarHBondContact O-N 3.07Å
13	L	41.3	Very low	40.4	Very low	159 Å²	159	143.6 Å²	143.6	83%	0.832	78%	0.782	S	S	*	*			trans	-66	84	166.5	-75.8	163.1	0	0	0	108.3	N15	L13-N15 PolarHBondContact O-N 3.37Å
14	V	40	Very low	41.5	Very low	109 Å²	109	143.3 Å²	143.3	66%	0.661	77%	0.768	S	S	*	*			trans	-81.7	98.3	156.9	-171.2	0	0	0	0	105.4	L12 L16	L12-V14 PolarHBondContact O-N 3.07Å; V14-L16 HydrophobicContact CG1-CD1 4.4Å; V14-L16 HydrophobicContact CG1-CG 3.93Å; V14-L16 PolarHBondContact O-N 2.83Å
15	N	41.3	Very low	42.5	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	78%	0.776	S	S	*	*			trans	-63	78.7	158.3	-85.2	-50.1	0	0	0	107.4	L13 M17	L13-N15 PolarHBondContact O-N 3.37Å; N15-M17 VanDerWaalsContact C-N 3.28Å; N15-M17 PolarHBondContact O-N 2.91Å; N15-M17 VanDerWaalsContact O-N 3.12Å
16	L	39.3	Very low	43.5	Very low	146 Å²	146	139.1 Å²	139.1	76%	0.764	76%	0.758	S	S	*	*			trans	-69.7	102.2	152.3	-83.7	161.3	0	0	0	104	V14 R18	V14-L16 HydrophobicContact CG1-CD1 4.4Å; V14-L16 HydrophobicContact CG1-CG 3.93Å; V14-L16 PolarHBondContact O-N 2.83Å; L16-R18 PolarHBondContact O-N 2.85Å
17	M	42.1	Very low	44.5	Very low	174 Å²	174	145.8 Å²	145.8	86%	0.857	77%	0.765	S	S	*	*			trans	-43.9	106	149.9	-68.2	-156.9	-74.1	0	0	105.4	N15 P19	N15-M17 VanDerWaalsContact C-N 3.28Å; N15-M17 PolarHBondContact O-N 2.91Å; N15-M17 VanDerWaalsContact O-N 3.12Å; M17-P19 WeakPolarHBondContact O-CD 3.16Å; M17-P19 VanDerWaalsContact O-N 3.11Å
18	R	44.7	Very low	45.5	Very low	223 Å²	223	148.5 Å²	148.5	84%	0.842	77%	0.773	S	S	*	*			trans	-47.3	122.1	155.4	-112.6	177.5	170.9	140.6	-3.6	103	L16 D20	L16-R18 PolarHBondContact O-N 2.85Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 2.87Å
19	P	45.9	Very low	47.4	Very low	111 Å²	111	141.5 Å²	141.5	72%	0.721	76%	0.762	S	S	*	*			trans	-52.4	118.8	148.4	-5.6	20.9	0	0	0	102	M17 S21	M17-P19 WeakPolarHBondContact O-CD 3.16Å; M17-P19 VanDerWaalsContact O-N 3.11Å; P19-S21 PolarHBondContact O-N 2.96Å
20	D	40.9	Very low	49.4	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	76%	0.762	S	S	*	*			trans	-48.9	103.6	154.2	-82.7	-35.2	0	0	0	102.8	R18 F22	R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 2.87Å; D20-F22 PolarHBondContact O-N 3Å
21	S	45.6	Very low	51.7	Low	91 Å²	91	143.2 Å²	143.2	64%	0.636	76%	0.763	S	S	*	*			trans	-57.4	95	157.2	48	0	0	0	0	101	P19 M23	P19-S21 PolarHBondContact O-N 2.96Å; S21-M23 PolarHBondContact O-N 3.27Å
22	F	45.1	Very low	54	Low	179 Å²	179	145.1 Å²	145.1	79%	0.785	76%	0.762	S	S	*	*			trans	-61.4	81.1	158	-145.1	-84.4	0	0	0	102	D20 V24	D20-F22 PolarHBondContact O-N 3Å; F22-V24 HydrophobicContact CD1-CG2 3.68Å; F22-V24 HydrophobicContact CE1-CG2 4.19Å; F22-V24 PolarHBondContact O-N 3.22Å
23	M	42.5	Very low	56.7	Low	160 Å²	160	144.3 Å²	144.3	79%	0.788	75%	0.753	S	S	*	*			trans	-60.1	91.6	151.7	-70.1	-159.3	168.5	0	0	101	S21 E25	S21-M23 PolarHBondContact O-N 3.27Å; M23-E25 PolarHBondContact O-N 3.27Å
24	V	54.3	Low	59.3	Low	108 Å²	108	139 Å²	139	66%	0.655	73%	0.727	S	S	*	*			trans	-53.9	97.3	147.1	179.9	0	0	0	0	101.2	F22 G26	F22-V24 HydrophobicContact CD1-CG2 3.68Å; F22-V24 HydrophobicContact CE1-CG2 4.19Å; F22-V24 PolarHBondContact O-N 3.22Å; V24-G26 PolarHBondContact O-N 2.96Å
25	E	49.8	Very low	62	Low	181 Å²	181	140.1 Å²	140.1	85%	0.846	73%	0.728	S	S	*	*			trans	-55.5	93.8	160.5	-171.1	135.3	-158.2	0	0	102.9	M23 R27	M23-E25 PolarHBondContact O-N 3.27Å; E25-R27 PolarHBondContact O-N 3.17Å
26	G	55.4	Low	64.7	Low	59 Å²	59	136.9 Å²	136.9	61%	0.608	71%	0.708	S	S	*	*			trans	-59.6	100.2	176	0	0	0	0	0	103.4	V24 D28	V24-G26 PolarHBondContact O-N 2.96Å; G26-D28 PolarHBondContact O-N 2.7Å; G26-D28 VanDerWaalsContact O-N 3.1Å
27	R	58.8	Low	67.5	Low	225 Å²	225	133.3 Å²	133.3	85%	0.849	70%	0.7	S	S	*	*			trans	-44.1	125.4	159.2	-83.5	179.9	178.4	166.9	0.2	104.9	E25 S29	E25-R27 PolarHBondContact O-N 3.17Å; R27-S29 PolarHBondContact O-N 3.35Å; R27-S29 PolarHBondContact O-OG 3.39Å; R27-S29 VanDerWaalsContact O-OG 3.06Å
28	D	68.4	Low	70.1	Confident	169 Å²	169	129.9 Å²	129.9	90%	0.904	68%	0.68	S	S	*	*			trans	-39.9	97	167.6	-96.4	-24.8	0	0	0	107.3	G26	G26-D28 PolarHBondContact O-N 2.7Å; G26-D28 VanDerWaalsContact O-N 3.1Å
29	S	72.9	Confident	72.6	Confident	98 Å²	98	122.8 Å²	122.8	69%	0.685	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-81.1	126.2	176.5	-64.6	0	0	0	0	102.9	R27 E31	R27-S29 PolarHBondContact O-N 3.35Å; R27-S29 PolarHBondContact O-OG 3.39Å; R27-S29 VanDerWaalsContact O-OG 3.06Å; S29-E31 PolarHBondContact O-N 3.14Å
30	P	84.6	Confident	75.1	Confident	119 Å²	119	120.2 Å²	120.2	77%	0.773	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-53.7	133.7	-177.8	21.7	-31.5	0	0	0	108.8	D32	P30-D32 PolarHBondContact O-N 3.29Å
31	E	89.6	Confident	77.9	Confident	171 Å²	171	115.1 Å²	115.1	80%	0.799	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-61.9	129.1	172.1	-63.9	-178.3	167.4	0	0	108.3	S29 F33	S29-E31 PolarHBondContact O-N 3.14Å; E31-F33 HydrophobicContact CB-CE2 3.98Å
32	D	92.7	Very high	80.4	Confident	120 Å²	120	115.4 Å²	115.4	64%	0.642	61%	0.61	S	S	*	*			trans	-115	134.9	-179.7	-167	12.8	0	0	0	110.2	P30 V34	P30-D32 PolarHBondContact O-N 3.29Å; D32-V34 WeakPolarHBondContact OD2-CG2 3.43Å
33	F	94.6	Very high	82.9	Confident	134 Å²	134	110.3 Å²	110.3	59%	0.588	59%	0.588	S	S	*	*			trans	-132.2	106.8	178.3	-64.9	-83.3	0	0	0	107.9	E31 F58	E31-F33 HydrophobicContact CB-CE2 3.98Å; F33-F58 HydrophobicContact CD1-CE2 4.47Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å
34	V	97	Very high	85.4	Confident	48 Å²	48	106.8 Å²	106.8	29%	0.291	58%	0.576	S	S	.	*			trans	-107.3	122.6	-172.9	-174.2	0	0	0	0	109.4	D32 Q36 F58 N59	D32-V34 WeakPolarHBondContact OD2-CG2 3.43Å; V34-Q36 HydrophobicContact CG1-CG 3.68Å; V34-F58 CarbonylContact O-C 3.6Å; V34-N59 PolarHBondContact N-OD1 3.35Å; V34-N59 PolarHBondContact O-N 3.45Å
35	I	96.4	Very high	87.4	Confident	131 Å²	131	107.6 Å²	107.6	67%	0.672	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.7	127.1	169	-60.3	170.1	0	0	0	107.8	F58	I35-F58 HydrophobicContact CG1-CD2 3.87Å; I35-F58 HydrophobicContact CG1-CE2 4.25Å
36	Q	98.1	Very high	89.5	Confident	83 Å²	83	100.2 Å²	100.2	39%	0.388	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.1	176.7	-44.5	-176.7	-69.5	0	0	109.9	V34 I57	V34-Q36 HydrophobicContact CG1-CG 3.68Å; Q36-I57 HydrophobicContact CB-CB 4.23Å; Q36-I57 PolarHBondContact N-O 3.39Å; Q36-I57 PolarHBondContact O-N 3.47Å
37	A	97.3	Very high	91.4	Very high	71 Å²	71	99.5 Å²	99.5	59%	0.587	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.8	167	0	0	0	0	0	108.7	R55 F56	A37-R55 CarbonylContact C-O 3.56Å; A37-R55 VanDerWaalsContact CA-O 3.28Å; A37-R55 WeakPolarHBondContact CA-O 3.4Å; A37-F56 HydrophobicContact CB-CD1 4.37Å; A37-F56 HydrophobicContact CB-CE1 4.48Å
38	K	98.2	Very high	93.1	Very high	102 Å²	102	95.6 Å²	95.6	44%	0.443	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.8	176.4	-64.2	-176.5	-177.9	177.3	0	109	E40 V54 R55 I57	K38-E40 HydrophobicContact CB-CG 4.43Å; K38-V54 CarbonylContact O-C 3.57Å; K38-V54 VanDerWaalsContact O-CA 3.3Å; K38-V54 WeakPolarHBondContact O-CA 3.37Å; K38-R55 HydrophobicContact CB-CB 4.42Å; K38-R55 PolarHBondContact N-O 3.31Å; K38-R55 PolarHBondContact O-N 3.01Å; K38-I57 HydrophobicContact CD-CD1 3.91Å; K38-I57 HydrophobicContact CG-CD1 4.18Å
39	A	97.4	Very high	94.5	Very high	74 Å²	74	93.8 Å²	93.8	61%	0.612	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	111	173.6	0	0	0	0	0	109.1	F52 V54	A39-F52 HydrophobicContact CB-CE2 4.03Å; A39-F52 HydrophobicContact CB-CZ 4.26Å; A39-V54 HydrophobicContact CB-CG2 4.2Å
40	E	98.1	Very high	95.7	Very high	56 Å²	56	89.8 Å²	89.8	26%	0.262	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	-171.9	-59.3	178.4	120.9	0	0	109.7	K38 Y42 F52 L53 R55	K38-E40 HydrophobicContact CB-CG 4.43Å; E40-Y42 HydrophobicContact CB-CD2 4.5Å; E40-Y42 HydrophobicContact CB-CE2 3.83Å; E40-Y42 VanDerWaalsContact CD-OH 3.23Å; E40-Y42 PolarHBondContact OE1-OH 2.98Å; E40-Y42 PolarHBondContact OE2-OH 3.29Å; E40-F52 WeakPolarHBondContact O-CA 3.45Å; E40-F52 WeakPolarHBondContact O-CD2 3.23Å; E40-L53 HydrophobicContact CB-CB 4.49Å; E40-L53 PolarHBondContact N-O 3.24Å; E40-L53 PolarHBondContact O-N 2.87Å; E40-R55 WeakPolarHBondContact OE2-CD 3.44Å; E40-R55 IonicContact OE2-CZ 3.84Å; E40-R55 IonicContact OE2-NE 3.67Å; E40-R55 PolarHBondContact OE2-NE 3.04Å; E40-R55 IonicContact OE2-NH2 2.89Å
41	C	98.2	Very high	96.4	Very high	39 Å²	39	88.1 Å²	88.1	26%	0.264	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.6	172.6	-65	0	0	0	0	108.5	F43 C105	C41-F43 HydrophobicContact CB-CD2 4.36Å; C41-F43 HydrophobicContact CB-CE1 4.46Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.51Å; C41-F43 WeakPolarHBondContact O-CD2 3.44Å; C41-F43 WeakPolarHBondContact O-CE2 3.31Å; C41-C105 HydrophobicContact CB-CB 3.59Å; C41-C105 WeakPolarHBondContact CB-SG 3.44Å; C41-C105 WeakPolarHBondContact SG-CA 3.29Å; C41-C105 WeakPolarHBondContact SG-CB 3.43Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 2.85Å
42	Y	98	Very high	96.8	Very high	96 Å²	96	80.7 Å²	80.7	38%	0.376	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.6	175.7	-59	-80.9	0	0	0	109.6	E40 V50 R51 L53	E40-Y42 HydrophobicContact CB-CD2 4.5Å; E40-Y42 HydrophobicContact CB-CE2 3.83Å; E40-Y42 VanDerWaalsContact CD-OH 3.23Å; E40-Y42 PolarHBondContact OE1-OH 2.98Å; E40-Y42 PolarHBondContact OE2-OH 3.29Å; Y42-V50 WeakPolarHBondContact O-CA 3.35Å; Y42-R51 PolarHBondContact N-O 2.89Å; Y42-R51 PolarHBondContact O-N 3.2Å; Y42-L53 HydrophobicContact CE2-CB 3.97Å; Y42-L53 HydrophobicContact CE2-CD2 3.95Å
43	F	97.6	Very high	97.1	Very high	73 Å²	73	75 Å²	75	32%	0.32	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.9	-177.8	-62.2	-78.4	0	0	0	109.9	C41 G46 V50 C105 Y109	C41-F43 HydrophobicContact CB-CD2 4.36Å; C41-F43 HydrophobicContact CB-CE1 4.46Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.51Å; C41-F43 WeakPolarHBondContact O-CD2 3.44Å; C41-F43 WeakPolarHBondContact O-CE2 3.31Å; F43-G46 WeakPolarHBondContact CB-O 3.3Å; F43-V50 HydrophobicContact CD1-CG1 4.17Å; F43-V50 HydrophobicContact CD1-CG2 3.88Å; F43-V50 HydrophobicContact CE1-CG1 3.92Å; F43-V50 HydrophobicContact CE1-CG2 4.13Å; F43-C105 HydrophobicContact CE1-CB 4.04Å; F43-C105 WeakPolarHBondContact CE1-O 3.49Å; F43-C105 HydrophobicContact CZ-CB 3.88Å; F43-C105 VanDerWaalsContact CZ-O 3.26Å; F43-C105 WeakPolarHBondContact CZ-O 3.48Å; F43-Y109 HydrophobicContact CB-CD2 4.31Å; F43-Y109 HydrophobicContact CB-CE2 4.22Å; F43-Y109 AromaticContact CD1-CD2 3.55Å; F43-Y109 HydrophobicContact CD1-CD2 3.55Å; F43-Y109 HydrophobicContact CD1-CE2 4.22Å; F43-Y109 HydrophobicContact CD1-CG 4.12Å; F43-Y109 AromaticContact CD2-CD2 3.89Å; F43-Y109 HydrophobicContact CD2-CD2 3.89Å; F43-Y109 HydrophobicContact CD2-CE2 4.44Å; F43-Y109 AromaticContact CE1-CD2 3.74Å; F43-Y109 HydrophobicContact CE1-CD2 3.74Å; F43-Y109 AromaticContact CE1-CG 3.99Å; F43-Y109 HydrophobicContact CE1-CG 3.99Å; F43-Y109 HydrophobicContact CE2-CD2 4.04Å; F43-Y109 AromaticContact CG-CD2 3.64Å; F43-Y109 HydrophobicContact CG-CD2 3.64Å; F43-Y109 HydrophobicContact CG-CE2 4.04Å; F43-Y109 AromaticContact CZ-CD2 3.98Å; F43-Y109 HydrophobicContact CZ-CD2 3.98Å; F43-Y109 HydrophobicContact CZ-CG 4.36Å
44	T	96.8	Very high	97.2	Very high	86 Å²	86	69.6 Å²	69.6	53%	0.528	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.9	172.3	-54.2	0	0	0	0	109	K49	T44-K49 PolarHBondContact N-O 2.86Å; T44-K49 PolarHBondContact O-N 3.5Å
45	N	94.9	Very high	97.3	Very high	124 Å²	124	70.6 Å²	70.6	66%	0.663	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	59.9	-172	-161.3	23.4	0	0	0	112.1	T47 E48	N45-T47 PolarHBondContact O-N 2.96Å; N45-E48 HydrophobicContact CB-CB 4.31Å; N45-E48 PolarHBondContact ND2-OE2 3.48Å; N45-E48 PolarHBondContact O-N 3.29Å
46	G	93.6	Very high	97.4	Very high	27 Å²	27	66.3 Å²	66.3	28%	0.278	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-118.8	-173.7	0	0	0	0	0	111.6	F43 Y109	F43-G46 WeakPolarHBondContact CB-O 3.3Å; G46-Y109 WeakPolarHBondContact CA-OH 3.09Å
47	T	96.4	Very high	97.4	Very high	43 Å²	43	63 Å²	63	26%	0.264	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	6.9	178.1	65.2	0	0	0	0	113.3	N45 K49 V50 R106 Y109	N45-T47 PolarHBondContact O-N 2.96Å; T47-K49 PolarHBondContact O-N 3.35Å; T47-V50 WeakPolarHBondContact O-CG2 3.45Å; T47-R106 PolarHBondContact O-NH1 3.49Å; T47-R106 PolarHBondContact O-NH2 3.29Å; T47-R106 VanDerWaalsContact O-NH2 3.1Å; T47-Y109 HydrophobicContact CG2-CD1 3.41Å; T47-Y109 VanDerWaalsContact CG2-CD1 3.41Å; T47-Y109 HydrophobicContact CG2-CD2 4.49Å; T47-Y109 HydrophobicContact CG2-CE1 4.02Å; T47-Y109 HydrophobicContact CG2-CG 3.7Å
48	E	95.1	Very high	97.4	Very high	143 Å²	143	62.8 Å²	62.8	67%	0.668	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-54.7	-177.8	-172.1	-179.4	170.6	0	0	111.5	N45	N45-E48 HydrophobicContact CB-CB 4.31Å; N45-E48 PolarHBondContact ND2-OE2 3.48Å; N45-E48 PolarHBondContact O-N 3.29Å
49	K	97.4	Very high	97.3	Very high	131 Å²	131	60.7 Å²	60.7	57%	0.57	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.5	173.5	-177.8	179.4	-177.8	-178.7	0	109.7	T44 T47	T44-K49 PolarHBondContact N-O 2.86Å; T44-K49 PolarHBondContact O-N 3.5Å; T47-K49 PolarHBondContact O-N 3.35Å
50	V	98.3	Very high	97.2	Very high	14 Å²	14	65.3 Å²	65.3	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.6	-179.4	-175.5	0	0	0	0	108.7	Y42 F43 T47 V101 C105 R106	Y42-V50 WeakPolarHBondContact O-CA 3.35Å; F43-V50 HydrophobicContact CD1-CG1 4.17Å; F43-V50 HydrophobicContact CD1-CG2 3.88Å; F43-V50 HydrophobicContact CE1-CG1 3.92Å; F43-V50 HydrophobicContact CE1-CG2 4.13Å; T47-V50 WeakPolarHBondContact O-CG2 3.45Å; V50-V101 HydrophobicContact CB-CG1 3.94Å; V50-V101 HydrophobicContact CG1-CG1 3.93Å; V50-C105 HydrophobicContact CG1-CB 3.57Å; V50-R106 HydrophobicContact CG2-CG 4.09Å
51	R	98.1	Very high	97.2	Very high	85 Å²	85	67.5 Å²	67.5	32%	0.321	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.8	171.9	180	-177.9	177.9	-161.1	0.7	109	Y42 D67 S68 D69	Y42-R51 PolarHBondContact N-O 2.89Å; Y42-R51 PolarHBondContact O-N 3.2Å; R51-D67 IonicContact CZ-OD1 3.91Å; R51-D67 IonicContact CZ-OD2 2.79Å; R51-D67 IonicContact NE-OD1 3.43Å; R51-D67 PolarHBondContact NE-OD1 3.03Å; R51-D67 IonicContact NE-OD2 3.95Å; R51-D67 PolarHBondContact NE-OD2 3.49Å; R51-D67 IonicContact NH2-OD1 3.23Å; R51-D67 IonicContact NH2-OD2 3.82Å; R51-D67 PolarHBondContact NH2-OD2 3.07Å; R51-S68 WeakPolarHBondContact CA-OG 3.38Å; R51-D69 WeakPolarHBondContact CD-OD2 3.4Å; R51-D69 IonicContact NE-OD2 2.7Å
52	F	98.4	Very high	97.2	Very high	15 Å²	15	67.7 Å²	67.7	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.2	173.6	-179.8	-119	0	0	0	109.3	A39 E40 V54 F66 S68 A100 V101 C105	A39-F52 HydrophobicContact CB-CE2 4.03Å; A39-F52 HydrophobicContact CB-CZ 4.26Å; E40-F52 WeakPolarHBondContact O-CA 3.45Å; E40-F52 WeakPolarHBondContact O-CD2 3.23Å; F52-V54 HydrophobicContact CD1-CG2 4.13Å; F52-V54 HydrophobicContact CE1-CG2 3.26Å; F52-V54 HydrophobicContact CE2-CG2 3.92Å; F52-V54 HydrophobicContact CZ-CG2 3.15Å; F52-F66 HydrophobicContact CD1-CD1 4.16Å; F52-F66 HydrophobicContact CD1-CE1 4.21Å; F52-S68 PolarHBondContact N-OG 2.8Å; F52-S68 WeakPolarHBondContact O-CB 3.2Å; F52-S68 PolarHBondContact O-N 2.87Å; F52-S68 PolarHBondContact O-OG 3.42Å; F52-A100 HydrophobicContact CD1-CB 3.61Å; F52-A100 HydrophobicContact CE1-CB 3.36Å; F52-A100 HydrophobicContact CG-CB 4.28Å; F52-A100 HydrophobicContact CZ-CB 3.85Å; F52-V101 HydrophobicContact CB-CG2 3.7Å; F52-C105 WeakPolarHBondContact CD2-SG 3.34Å
53	L	98.4	Very high	97.2	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.8	-179.4	-176.1	68.8	0	0	0	108.7	E40 Y42 R55 H65 F66 D67	E40-L53 HydrophobicContact CB-CB 4.49Å; E40-L53 PolarHBondContact N-O 3.24Å; E40-L53 PolarHBondContact O-N 2.87Å; Y42-L53 HydrophobicContact CE2-CB 3.97Å; Y42-L53 HydrophobicContact CE2-CD2 3.95Å; L53-R55 HydrophobicContact CD2-CG 4.21Å; L53-R55 VanDerWaalsContact CD2-CZ 3.43Å; L53-R55 HydrophobicContact CG-CG 4.14Å; L53-H65 HydrophobicContact CD1-CB 4.13Å; L53-F66 CarbonylContact C-O 3.51Å; L53-F66 WeakPolarHBondContact CA-O 3.39Å; L53-F66 WeakPolarHBondContact CD1-O 3.29Å; L53-D67 HydrophobicContact CD1-CB 3.96Å
54	V	98.1	Very high	97.3	Very high	20 Å²	20	61 Å²	61	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.9	172.5	-174	0	0	0	0	108.8	K38 A39 F52 F56 H65 F66	K38-V54 CarbonylContact O-C 3.57Å; K38-V54 VanDerWaalsContact O-CA 3.3Å; K38-V54 WeakPolarHBondContact O-CA 3.37Å; A39-V54 HydrophobicContact CB-CG2 4.2Å; F52-V54 HydrophobicContact CD1-CG2 4.13Å; F52-V54 HydrophobicContact CE1-CG2 3.26Å; F52-V54 HydrophobicContact CE2-CG2 3.92Å; F52-V54 HydrophobicContact CZ-CG2 3.15Å; V54-F56 HydrophobicContact CB-CE2 4.24Å; V54-F56 HydrophobicContact CG1-CD2 4.4Å; V54-F56 HydrophobicContact CG1-CE1 4.45Å; V54-F56 HydrophobicContact CG1-CE2 3.69Å; V54-F56 HydrophobicContact CG1-CZ 3.73Å; V54-H65 CarbonylContact O-C 3.55Å; V54-H65 WeakPolarHBondContact O-CA 3.5Å; V54-H65 WeakPolarHBondContact O-CB 3.45Å; V54-F66 HydrophobicContact CB-CB 4.4Å; V54-F66 PolarHBondContact N-O 3.24Å; V54-F66 PolarHBondContact O-N 2.92Å
55	R	98.4	Very high	97.4	Very high	68 Å²	68	58 Å²	58	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.7	178.6	-56.5	176.7	-176.5	-96	1.3	110.3	A37 K38 E40 L53 I57 E62 H65	A37-R55 CarbonylContact C-O 3.56Å; A37-R55 VanDerWaalsContact CA-O 3.28Å; A37-R55 WeakPolarHBondContact CA-O 3.4Å; K38-R55 HydrophobicContact CB-CB 4.42Å; K38-R55 PolarHBondContact N-O 3.31Å; K38-R55 PolarHBondContact O-N 3.01Å; E40-R55 WeakPolarHBondContact OE2-CD 3.44Å; E40-R55 IonicContact OE2-CZ 3.84Å; E40-R55 IonicContact OE2-NE 3.67Å; E40-R55 PolarHBondContact OE2-NE 3.04Å; E40-R55 IonicContact OE2-NH2 2.89Å; L53-R55 HydrophobicContact CD2-CG 4.21Å; L53-R55 VanDerWaalsContact CD2-CZ 3.43Å; L53-R55 HydrophobicContact CG-CG 4.14Å; R55-I57 HydrophobicContact CB-CD1 4.49Å; R55-I57 HydrophobicContact CB-CG1 4.48Å; R55-E62 HydrophobicContact CB-CG 4.13Å; R55-E62 WeakPolarHBondContact CD-OE2 3.28Å; R55-E62 WeakPolarHBondContact CG-OE1 3.26Å; R55-E62 IonicContact CZ-OE2 3.41Å; R55-E62 IonicContact NE-OE2 2.71Å; R55-E62 IonicContact NH1-OE1 2.79Å; R55-E62 PolarHBondContact NH1-OE1 3.25Å; R55-E62 IonicContact NH1-OE2 2.63Å; R55-E62 PolarHBondContact NH1-OE2 2.89Å; R55-H65 HydrophobicContact CG-CB 4.37Å
56	F	98.3	Very high	97.5	Very high	41 Å²	41	52.1 Å²	52.1	18%	0.18	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.1	173.1	-60.4	-94.1	0	0	0	108.6	A37 V54 E62 Y63 L64 F73 W87	A37-F56 HydrophobicContact CB-CD1 4.37Å; A37-F56 HydrophobicContact CB-CE1 4.48Å; V54-F56 HydrophobicContact CB-CE2 4.24Å; V54-F56 HydrophobicContact CG1-CD2 4.4Å; V54-F56 HydrophobicContact CG1-CE1 4.45Å; V54-F56 HydrophobicContact CG1-CE2 3.69Å; V54-F56 HydrophobicContact CG1-CZ 3.73Å; F56-E62 WeakPolarHBondContact O-CA 3.45Å; F56-Y63 HydrophobicContact CB-CD1 4.3Å; F56-Y63 HydrophobicContact CB-CE1 3.61Å; F56-Y63 HydrophobicContact CB-CE2 4.43Å; F56-Y63 VanDerWaalsContact O-CD1 3.25Å; F56-Y63 WeakPolarHBondContact O-CD1 3.32Å; F56-Y63 PolarHBondContact O-N 3.46Å; F56-L64 HydrophobicContact CB-CD2 4.49Å; F56-L64 HydrophobicContact CD2-CD2 3.32Å; F56-L64 HydrophobicContact CE2-CD2 3.75Å; F56-L64 HydrophobicContact CG-CD2 4.11Å; F56-L64 PolarHBondContact N-O 2.81Å; F56-F73 HydrophobicContact CE2-CD1 4.43Å; F56-F73 HydrophobicContact CE2-CE1 4.11Å; F56-F73 HydrophobicContact CZ-CE1 4.49Å; F56-W87 HydrophobicContact CD1-CH2 4.1Å; F56-W87 HydrophobicContact CD1-CZ3 4.29Å; F56-W87 HydrophobicContact CD2-CZ3 4.03Å; F56-W87 AromaticContact CE1-CH2 3.89Å; F56-W87 HydrophobicContact CE1-CH2 3.89Å; F56-W87 AromaticContact CE1-CZ3 3.93Å; F56-W87 HydrophobicContact CE1-CZ3 3.93Å; F56-W87 HydrophobicContact CE2-CH2 4.39Å; F56-W87 AromaticContact CE2-CZ3 3.65Å; F56-W87 HydrophobicContact CE2-CZ3 3.65Å; F56-W87 HydrophobicContact CG-CH2 4.44Å; F56-W87 HydrophobicContact CG-CZ3 4.33Å; F56-W87 HydrophobicContact CZ-CH2 4.03Å; F56-W87 AromaticContact CZ-CZ3 3.58Å; F56-W87 HydrophobicContact CZ-CZ3 3.58Å
57	I	98.5	Very high	97.8	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.4	-169.1	-57.1	159.9	0	0	0	108.2	Q36 K38 R55 E61 E62	Q36-I57 HydrophobicContact CB-CB 4.23Å; Q36-I57 PolarHBondContact N-O 3.39Å; Q36-I57 PolarHBondContact O-N 3.47Å; K38-I57 HydrophobicContact CD-CD1 3.91Å; K38-I57 HydrophobicContact CG-CD1 4.18Å; R55-I57 HydrophobicContact CB-CD1 4.49Å; R55-I57 HydrophobicContact CB-CG1 4.48Å; I57-E61 WeakPolarHBondContact CA-O 3.3Å; I57-E62 HydrophobicContact CG1-CB 4.07Å; I57-E62 HydrophobicContact CG1-CG 4.19Å
58	F	97.8	Very high	97.8	Very high	67 Å²	67	50.5 Å²	50.5	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.1	171.8	-176.3	-110.9	0	0	0	108.9	F33 V34 I35 L60 E61 Y63 L79	F33-F58 HydrophobicContact CD1-CE2 4.47Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å; V34-F58 CarbonylContact O-C 3.6Å; I35-F58 HydrophobicContact CG1-CD2 3.87Å; I35-F58 HydrophobicContact CG1-CE2 4.25Å; F58-L60 PolarHBondContact O-N 3.04Å; F58-E61 PolarHBondContact N-O 2.82Å; F58-E61 PolarHBondContact O-N 3.32Å; F58-Y63 HydrophobicContact CB-CD1 4.02Å; F58-Y63 HydrophobicContact CB-CE1 4.32Å; F58-L79 HydrophobicContact CB-CD2 4.17Å; F58-L79 HydrophobicContact CD1-CD2 4.21Å; F58-L79 HydrophobicContact CG-CD2 4.37Å
59	N	95.9	Very high	98	Very high	57 Å²	57	48.3 Å²	48.3	31%	0.305	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-97.8	-166.9	-62.7	-33.5	0	0	0	111.6	V34	V34-N59 PolarHBondContact N-OD1 3.35Å; V34-N59 PolarHBondContact O-N 3.45Å
60	L	95.9	Very high	98	Very high	171 Å²	171	47.1 Å²	47.1	90%	0.895	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	4.2	178.9	-59	177.1	0	0	0	112.4	F58	F58-L60 PolarHBondContact O-N 3.04Å
61	E	97.8	Very high	98	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113	-175.1	-172.8	172.6	-157.6	0	0	110.2	I57 F58 Y63 T77	I57-E61 WeakPolarHBondContact CA-O 3.3Å; F58-E61 PolarHBondContact N-O 2.82Å; F58-E61 PolarHBondContact O-N 3.32Å; E61-Y63 PolarHBondContact O-N 2.85Å; E61-T77 HydrophobicContact CG-CG2 3.94Å; E61-T77 VanDerWaalsContact OE1-CG2 3.24Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.32Å
62	E	98.1	Very high	98	Very high	43 Å²	43	46.1 Å²	46.1	20%	0.201	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	111.8	167	-171.6	-173.2	152.7	0	0	108.5	R55 F56 I57 H65 L76	R55-E62 HydrophobicContact CB-CG 4.13Å; R55-E62 WeakPolarHBondContact CD-OE2 3.28Å; R55-E62 WeakPolarHBondContact CG-OE1 3.26Å; R55-E62 IonicContact CZ-OE2 3.41Å; R55-E62 IonicContact NE-OE2 2.71Å; R55-E62 IonicContact NH1-OE1 2.79Å; R55-E62 PolarHBondContact NH1-OE1 3.25Å; R55-E62 IonicContact NH1-OE2 2.63Å; R55-E62 PolarHBondContact NH1-OE2 2.89Å; F56-E62 WeakPolarHBondContact O-CA 3.45Å; I57-E62 HydrophobicContact CG1-CB 4.07Å; I57-E62 HydrophobicContact CG1-CG 4.19Å; E62-H65 IonicContact OE1-CG 2.82Å; E62-H65 IonicContact OE1-ND1 3.25Å; E62-H65 PolarHBondContact OE1-ND1 2.83Å; E62-H65 VanDerWaalsContact OE1-ND1 3.07Å; E62-L76 HydrophobicContact CB-CD1 4.2Å; E62-L76 HydrophobicContact CG-CD1 3.74Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.42Å
63	Y	98.3	Very high	98	Very high	27 Å²	27	45.7 Å²	45.7	11%	0.106	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-23.8	-172.3	71.7	-91	0	0	0	112.7	F56 F58 E61 L76 T77 L79 D83	F56-Y63 HydrophobicContact CB-CD1 4.3Å; F56-Y63 HydrophobicContact CB-CE1 3.61Å; F56-Y63 HydrophobicContact CB-CE2 4.43Å; F56-Y63 VanDerWaalsContact O-CD1 3.25Å; F56-Y63 WeakPolarHBondContact O-CD1 3.32Å; F56-Y63 PolarHBondContact O-N 3.46Å; F58-Y63 HydrophobicContact CB-CD1 4.02Å; F58-Y63 HydrophobicContact CB-CE1 4.32Å; E61-Y63 PolarHBondContact O-N 2.85Å; Y63-L76 PolarHBondContact O-N 3.37Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.25Å; Y63-T77 PolarHBondContact O-N 2.84Å; Y63-L79 HydrophobicContact CD1-CD2 4.38Å; Y63-L79 HydrophobicContact CD2-CD2 4.45Å; Y63-L79 HydrophobicContact CD2-CG 4.26Å; Y63-L79 HydrophobicContact CG-CD2 4.08Å; Y63-L79 HydrophobicContact CG-CG 4.34Å; Y63-D83 WeakPolarHBondContact CE2-OD2 3.31Å
64	L	98.3	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	147.8	-177.3	176.9	153.9	0	0	0	110.6	F56 F73 V74 D83 A84 W87	F56-L64 HydrophobicContact CB-CD2 4.49Å; F56-L64 HydrophobicContact CD2-CD2 3.32Å; F56-L64 HydrophobicContact CE2-CD2 3.75Å; F56-L64 HydrophobicContact CG-CD2 4.11Å; F56-L64 PolarHBondContact N-O 2.81Å; L64-F73 HydrophobicContact CD2-CB 4.37Å; L64-F73 HydrophobicContact CD2-CD1 3.74Å; L64-F73 HydrophobicContact CD2-CG 4.5Å; L64-V74 WeakPolarHBondContact CA-O 3.45Å; L64-D83 HydrophobicContact CD1-CB 3.58Å; L64-A84 HydrophobicContact CD1-CB 3.74Å; L64-A84 VanDerWaalsContact CD1-N 3.3Å; L64-W87 HydrophobicContact CD1-CE3 4.33Å; L64-W87 HydrophobicContact CD1-CZ3 4.37Å; L64-W87 HydrophobicContact CD2-CE3 3.91Å; L64-W87 HydrophobicContact CD2-CH2 4.48Å; L64-W87 HydrophobicContact CD2-CZ3 3.54Å
65	H	98.5	Very high	98	Very high	25 Å²	25	48.2 Å²	48.2	12%	0.116	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.5	166.3	61.4	-118.4	0	0	0	113.5	L53 V54 R55 E62 F73 V74	L53-H65 HydrophobicContact CD1-CB 4.13Å; V54-H65 CarbonylContact O-C 3.55Å; V54-H65 WeakPolarHBondContact O-CA 3.5Å; V54-H65 WeakPolarHBondContact O-CB 3.45Å; R55-H65 HydrophobicContact CG-CB 4.37Å; E62-H65 IonicContact OE1-CG 2.82Å; E62-H65 IonicContact OE1-ND1 3.25Å; E62-H65 PolarHBondContact OE1-ND1 2.83Å; E62-H65 VanDerWaalsContact OE1-ND1 3.07Å; H65-F73 CarbonylContact O-C 3.42Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; H65-V74 PolarHBondContact N-O 2.84Å; H65-V74 PolarHBondContact O-N 3.47Å
66	F	98.6	Very high	97.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.9	160.6	176.8	-93.8	0	0	0	109.7	F52 L53 V54 F73 L94 S97 R98	F52-F66 HydrophobicContact CD1-CD1 4.16Å; F52-F66 HydrophobicContact CD1-CE1 4.21Å; L53-F66 CarbonylContact C-O 3.51Å; L53-F66 WeakPolarHBondContact CA-O 3.39Å; L53-F66 WeakPolarHBondContact CD1-O 3.29Å; V54-F66 HydrophobicContact CB-CB 4.4Å; V54-F66 PolarHBondContact N-O 3.24Å; V54-F66 PolarHBondContact O-N 2.92Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.58Å; F66-F73 HydrophobicContact CB-CG 4.31Å; F66-F73 HydrophobicContact CB-CZ 4.22Å; F66-F73 HydrophobicContact CD2-CD1 4.27Å; F66-F73 HydrophobicContact CD2-CD2 4.1Å; F66-F73 HydrophobicContact CD2-CE1 4.24Å; F66-F73 HydrophobicContact CD2-CE2 4.02Å; F66-F73 HydrophobicContact CD2-CG 4.24Å; F66-F73 HydrophobicContact CD2-CZ 4.11Å; F66-F73 HydrophobicContact CG-CD1 4.43Å; F66-F73 HydrophobicContact CG-CE1 4.29Å; F66-F73 HydrophobicContact CG-CZ 4.47Å; F66-L94 HydrophobicContact CE2-CD2 4.24Å; F66-S97 WeakPolarHBondContact CE1-O 3.48Å; F66-S97 VanDerWaalsContact CE2-CB 3.48Å; F66-R98 HydrophobicContact CE2-CG 4.41Å; F66-R98 HydrophobicContact CZ-CG 3.9Å
67	D	98.4	Very high	97.9	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.4	174.1	-171.9	-8.8	0	0	0	110.4	R51 L53 D69 L70 G71 L72	R51-D67 IonicContact CZ-OD1 3.91Å; R51-D67 IonicContact CZ-OD2 2.79Å; R51-D67 IonicContact NE-OD1 3.43Å; R51-D67 PolarHBondContact NE-OD1 3.03Å; R51-D67 IonicContact NE-OD2 3.95Å; R51-D67 PolarHBondContact NE-OD2 3.49Å; R51-D67 IonicContact NH2-OD1 3.23Å; R51-D67 IonicContact NH2-OD2 3.82Å; R51-D67 PolarHBondContact NH2-OD2 3.07Å; L53-D67 HydrophobicContact CD1-CB 3.96Å; D67-D69 PolarHBondContact O-N 3.01Å; D67-D69 PolarHBondContact OD1-N 3.4Å; D67-L70 HydrophobicContact CB-CB 4.33Å; D67-L70 HydrophobicContact CB-CD1 4.18Å; D67-L70 HydrophobicContact CB-CG 4.21Å; D67-L70 CarbonylContact O-C 3.47Å; D67-L70 PolarHBondContact O-N 3.01Å; D67-L70 VanDerWaalsContact O-N 3.13Å; D67-G71 PolarHBondContact O-N 3.46Å; D67-L72 PolarHBondContact N-O 2.71Å
68	S	98.2	Very high	97.8	Very high	25 Å²	25	56 Å²	56	18%	0.175	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.4	178.8	66.4	0	0	0	0	113.8	R51 F52 L70 G71	R51-S68 WeakPolarHBondContact CA-OG 3.38Å; F52-S68 PolarHBondContact N-OG 2.8Å; F52-S68 WeakPolarHBondContact O-CB 3.2Å; F52-S68 PolarHBondContact O-N 2.87Å; F52-S68 PolarHBondContact O-OG 3.42Å; S68-L70 PolarHBondContact O-N 3.24Å; S68-G71 PolarHBondContact O-N 3.47Å
69	D	97.8	Very high	97.7	Very high	96 Å²	96	57.3 Å²	57.3	51%	0.513	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.6	178.4	-73.1	-2.1	0	0	0	111.1	R51 D67	R51-D69 WeakPolarHBondContact CD-OD2 3.4Å; R51-D69 IonicContact NE-OD2 2.7Å; D67-D69 PolarHBondContact O-N 3.01Å; D67-D69 PolarHBondContact OD1-N 3.4Å
70	L	97.8	Very high	97.8	Very high	106 Å²	106	54.6 Å²	54.6	56%	0.555	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-27.8	173.4	-58.1	178.5	0	0	0	112	D67 S68 L72 V74	D67-L70 HydrophobicContact CB-CB 4.33Å; D67-L70 HydrophobicContact CB-CD1 4.18Å; D67-L70 HydrophobicContact CB-CG 4.21Å; D67-L70 CarbonylContact O-C 3.47Å; D67-L70 PolarHBondContact O-N 3.01Å; D67-L70 VanDerWaalsContact O-N 3.13Å; S68-L70 PolarHBondContact O-N 3.24Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.29Å; L70-L72 PolarHBondContact O-N 3.08Å; L70-V74 HydrophobicContact CD1-CG2 3.58Å
71	G	97.5	Very high	97.9	Very high	9 Å²	9	52.3 Å²	52.3	9%	0.093	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	22.3	-177.8	0	0	0	0	0	114	D67 S68 R98	D67-G71 PolarHBondContact O-N 3.46Å; S68-G71 PolarHBondContact O-N 3.47Å; G71-R98 VanDerWaalsContact O-CZ 3.26Å; G71-R98 PolarHBondContact O-NE 3.42Å; G71-R98 PolarHBondContact O-NH2 3.13Å
72	L	98.2	Very high	97.9	Very high	69 Å²	69	51.6 Å²	51.6	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	167.2	-178.5	60.6	80.3	0	0	0	112.2	D67 L70 V74 N88 L94	D67-L72 PolarHBondContact N-O 2.71Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.29Å; L70-L72 PolarHBondContact O-N 3.08Å; L72-V74 HydrophobicContact CD1-CG2 3.6Å; L72-N88 WeakPolarHBondContact CB-OD1 3.5Å; L72-L94 HydrophobicContact CB-CD2 4.25Å
73	F	98.4	Very high	97.8	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.4	174.3	-62.8	-89.4	0	0	0	110.7	F56 L64 H65 F66 A84 W87 N88 L93 L94	F56-F73 HydrophobicContact CE2-CD1 4.43Å; F56-F73 HydrophobicContact CE2-CE1 4.11Å; F56-F73 HydrophobicContact CZ-CE1 4.49Å; L64-F73 HydrophobicContact CD2-CB 4.37Å; L64-F73 HydrophobicContact CD2-CD1 3.74Å; L64-F73 HydrophobicContact CD2-CG 4.5Å; H65-F73 CarbonylContact O-C 3.42Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.58Å; F66-F73 HydrophobicContact CB-CG 4.31Å; F66-F73 HydrophobicContact CB-CZ 4.22Å; F66-F73 HydrophobicContact CD2-CD1 4.27Å; F66-F73 HydrophobicContact CD2-CD2 4.1Å; F66-F73 HydrophobicContact CD2-CE1 4.24Å; F66-F73 HydrophobicContact CD2-CE2 4.02Å; F66-F73 HydrophobicContact CD2-CG 4.24Å; F66-F73 HydrophobicContact CD2-CZ 4.11Å; F66-F73 HydrophobicContact CG-CD1 4.43Å; F66-F73 HydrophobicContact CG-CE1 4.29Å; F66-F73 HydrophobicContact CG-CZ 4.47Å; F73-A84 HydrophobicContact CB-CB 4.49Å; F73-W87 AromaticContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CZ3 4.12Å; F73-W87 HydrophobicContact CD2-CB 3.77Å; F73-W87 AromaticContact CE1-CE3 3.5Å; F73-W87 HydrophobicContact CE1-CE3 3.5Å; F73-W87 VanDerWaalsContact CE1-CE3 3.5Å; F73-W87 AromaticContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE2-CB 4.02Å; F73-W87 HydrophobicContact CG-CB 4.15Å; F73-W87 HydrophobicContact CG-CE3 4.08Å; F73-W87 HydrophobicContact CZ-CE3 4.02Å; F73-N88 PolarHBondContact N-OD1 3.02Å; F73-N88 PolarHBondContact O-ND2 2.98Å; F73-L93 HydrophobicContact CE2-CD2 3.69Å; F73-L93 HydrophobicContact CE2-CG 3.81Å; F73-L93 HydrophobicContact CZ-CD1 4.35Å; F73-L93 HydrophobicContact CZ-CD2 3.7Å; F73-L93 HydrophobicContact CZ-CG 3.79Å; F73-L94 HydrophobicContact CD2-CD2 3.83Å; F73-L94 HydrophobicContact CE2-CD2 3.95Å
74	V	98.4	Very high	97.8	Very high	41 Å²	41	50.8 Å²	50.8	25%	0.248	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124	-179.9	-176.5	0	0	0	0	108.3	L64 H65 L70 L72	L64-V74 WeakPolarHBondContact CA-O 3.45Å; H65-V74 PolarHBondContact N-O 2.84Å; H65-V74 PolarHBondContact O-N 3.47Å; L70-V74 HydrophobicContact CD1-CG2 3.58Å; L72-V74 HydrophobicContact CD1-CG2 3.6Å
75	A	98.3	Very high	97.7	Very high	33 Å²	33	54.8 Å²	54.8	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.7	168.9	0	0	0	0	0	109.8	G80 E81 A84	A75-G80 VanDerWaalsContact CB-C 3.44Å; A75-E81 HydrophobicContact CB-CG 4.15Å; A75-A84 HydrophobicContact CB-CB 3.92Å
76	L	97.9	Very high	97.7	Very high	88 Å²	88	58.7 Å²	58.7	46%	0.461	31%	0.314	S	S	.	.	S	Bend	trans	-102	-22.2	173.9	-63.4	179	0	0	0	112.2	E62 Y63	E62-L76 HydrophobicContact CB-CD1 4.2Å; E62-L76 HydrophobicContact CG-CD1 3.74Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.42Å; Y63-L76 PolarHBondContact O-N 3.37Å
77	T	97.6	Very high	97.7	Very high	31 Å²	31	60.7 Å²	60.7	19%	0.19	32%	0.322	C	S	.	.	S	Bend	trans	-139.1	164.2	-177.1	76.5	0	0	0	0	109.7	E61 Y63 L79 G80	E61-T77 HydrophobicContact CG-CG2 3.94Å; E61-T77 VanDerWaalsContact OE1-CG2 3.24Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.32Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.25Å; Y63-T77 PolarHBondContact O-N 2.84Å; T77-L79 PolarHBondContact O-N 2.8Å; T77-L79 VanDerWaalsContact O-N 3.16Å; T77-G80 PolarHBondContact O-N 3.12Å
78	E	96.6	Very high	97.7	Very high	167 Å²	167	62.5 Å²	62.5	78%	0.78	33%	0.331	S	S	*	.	H	α-helix	trans	-56	-33	-179.9	-64.7	-177.6	178.8	0	0	112.3	G80 E81	E78-G80 PolarHBondContact O-N 3.38Å; E78-E81 PolarHBondContact O-N 2.83Å
79	L	95.6	Very high	97.6	Very high	96 Å²	96	68.1 Å²	68.1	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-35.4	176.5	-177.9	64.4	0	0	0	112.2	F58 Y63 T77	F58-L79 HydrophobicContact CB-CD2 4.17Å; F58-L79 HydrophobicContact CD1-CD2 4.21Å; F58-L79 HydrophobicContact CG-CD2 4.37Å; Y63-L79 HydrophobicContact CD1-CD2 4.38Å; Y63-L79 HydrophobicContact CD2-CD2 4.45Å; Y63-L79 HydrophobicContact CD2-CG 4.26Å; Y63-L79 HydrophobicContact CG-CD2 4.08Å; Y63-L79 HydrophobicContact CG-CG 4.34Å; T77-L79 PolarHBondContact O-N 2.8Å; T77-L79 VanDerWaalsContact O-N 3.16Å
80	G	97.5	Very high	97.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-85.6	-12.2	-177.6	0	0	0	0	0	115.6	A75 T77 E78 V82 D83 A84	A75-G80 VanDerWaalsContact CB-C 3.44Å; T77-G80 PolarHBondContact O-N 3.12Å; E78-G80 PolarHBondContact O-N 3.38Å; G80-V82 VanDerWaalsContact C-N 3.34Å; G80-V82 PolarHBondContact O-N 2.96Å; G80-D83 PolarHBondContact O-N 3.27Å; G80-A84 WeakPolarHBondContact O-CB 3.42Å; G80-A84 PolarHBondContact O-N 2.96Å
81	E	97.9	Very high	97.6	Very high	122 Å²	122	69.8 Å²	69.8	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-43.8	-174.3	-69.4	-172.8	173.3	0	0	112.2	A75 E78 A84 D85	A75-E81 HydrophobicContact CB-CG 4.15Å; E78-E81 PolarHBondContact O-N 2.83Å; E81-A84 PolarHBondContact O-N 2.99Å; E81-D85 WeakPolarHBondContact O-CB 3.47Å; E81-D85 PolarHBondContact O-N 3.42Å
82	V	96.9	Very high	97.5	Very high	89 Å²	89	74.1 Å²	74.1	54%	0.539	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-45.7	-179.9	-179.6	0	0	0	0	110.7	G80 Q86	G80-V82 VanDerWaalsContact C-N 3.34Å; G80-V82 PolarHBondContact O-N 2.96Å; V82-Q86 WeakPolarHBondContact O-CB 3.41Å; V82-Q86 VanDerWaalsContact O-CG 3.28Å; V82-Q86 WeakPolarHBondContact O-CG 3.36Å; V82-Q86 PolarHBondContact O-N 3.48Å
83	D	97.1	Very high	97.4	Very high	44 Å²	44	72.8 Å²	72.8	24%	0.235	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-45.3	179.4	-77.1	-16	0	0	0	111.1	Y63 L64 G80 D85 Q86 W87	Y63-D83 WeakPolarHBondContact CE2-OD2 3.31Å; L64-D83 HydrophobicContact CD1-CB 3.58Å; G80-D83 PolarHBondContact O-N 3.27Å; D83-D85 PolarHBondContact O-N 3.22Å; D83-Q86 PolarHBondContact O-N 3.42Å; D83-W87 HydrophobicContact CB-CD2 4.43Å; D83-W87 HydrophobicContact CB-CZ2 4.25Å; D83-W87 WeakPolarHBondContact O-CB 3.28Å; D83-W87 VanDerWaalsContact O-CD1 3.27Å; D83-W87 PolarHBondContact O-N 2.91Å
84	A	98	Very high	97.3	Very high	8 Å²	8	72.9 Å²	72.9	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-45.7	179.5	0	0	0	0	0	111.5	L64 F73 A75 G80 E81 N88	L64-A84 HydrophobicContact CD1-CB 3.74Å; L64-A84 VanDerWaalsContact CD1-N 3.3Å; F73-A84 HydrophobicContact CB-CB 4.49Å; A75-A84 HydrophobicContact CB-CB 3.92Å; G80-A84 WeakPolarHBondContact O-CB 3.42Å; G80-A84 PolarHBondContact O-N 2.96Å; E81-A84 PolarHBondContact O-N 2.99Å; A84-N88 WeakPolarHBondContact O-CB 3.34Å; A84-N88 PolarHBondContact O-N 3.48Å; A84-N88 PolarHBondContact O-ND2 3.47Å
85	D	97.4	Very high	97.3	Very high	84 Å²	84	76.6 Å²	76.6	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176.9	177.1	67.2	0	0	0	111.8	E81 D83 K89	E81-D85 WeakPolarHBondContact O-CB 3.47Å; E81-D85 PolarHBondContact O-N 3.42Å; D83-D85 PolarHBondContact O-N 3.22Å; D85-K89 WeakPolarHBondContact O-CD 3.33Å; D85-K89 WeakPolarHBondContact O-CG 3.47Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 WeakPolarHBondContact OD1-CE 3.32Å; D85-K89 IonicContact OD1-NZ 3.98Å; D85-K89 PolarHBondContact OD1-NZ 3.47Å; D85-K89 IonicContact OD2-NZ 3.74Å; D85-K89 PolarHBondContact OD2-NZ 2.91Å
86	Q	97.5	Very high	97.2	Very high	107 Å²	107	79.2 Å²	79.2	50%	0.5	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-45.6	179.2	-72.8	-177.3	18.5	0	0	112.4	V82 D83 K89 R90	V82-Q86 WeakPolarHBondContact O-CB 3.41Å; V82-Q86 VanDerWaalsContact O-CG 3.28Å; V82-Q86 WeakPolarHBondContact O-CG 3.36Å; V82-Q86 PolarHBondContact O-N 3.48Å; D83-Q86 PolarHBondContact O-N 3.42Å; Q86-K89 PolarHBondContact O-N 2.84Å; Q86-R90 PolarHBondContact O-N 3Å
87	W	97.9	Very high	97.2	Very high	43 Å²	43	75.9 Å²	75.9	16%	0.163	38%	0.379	C	S	.	.	H	α-helix	trans	-71.8	-33.7	-175	-67.9	10.3	0	0	0	111.6	F56 L64 F73 D83 K89 R90 L93	F56-W87 HydrophobicContact CD1-CH2 4.1Å; F56-W87 HydrophobicContact CD1-CZ3 4.29Å; F56-W87 HydrophobicContact CD2-CZ3 4.03Å; F56-W87 AromaticContact CE1-CH2 3.89Å; F56-W87 HydrophobicContact CE1-CH2 3.89Å; F56-W87 AromaticContact CE1-CZ3 3.93Å; F56-W87 HydrophobicContact CE1-CZ3 3.93Å; F56-W87 HydrophobicContact CE2-CH2 4.39Å; F56-W87 AromaticContact CE2-CZ3 3.65Å; F56-W87 HydrophobicContact CE2-CZ3 3.65Å; F56-W87 HydrophobicContact CG-CH2 4.44Å; F56-W87 HydrophobicContact CG-CZ3 4.33Å; F56-W87 HydrophobicContact CZ-CH2 4.03Å; F56-W87 AromaticContact CZ-CZ3 3.58Å; F56-W87 HydrophobicContact CZ-CZ3 3.58Å; L64-W87 HydrophobicContact CD1-CE3 4.33Å; L64-W87 HydrophobicContact CD1-CZ3 4.37Å; L64-W87 HydrophobicContact CD2-CE3 3.91Å; L64-W87 HydrophobicContact CD2-CH2 4.48Å; L64-W87 HydrophobicContact CD2-CZ3 3.54Å; F73-W87 AromaticContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CZ3 4.12Å; F73-W87 HydrophobicContact CD2-CB 3.77Å; F73-W87 AromaticContact CE1-CE3 3.5Å; F73-W87 HydrophobicContact CE1-CE3 3.5Å; F73-W87 VanDerWaalsContact CE1-CE3 3.5Å; F73-W87 AromaticContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE2-CB 4.02Å; F73-W87 HydrophobicContact CG-CB 4.15Å; F73-W87 HydrophobicContact CG-CE3 4.08Å; F73-W87 HydrophobicContact CZ-CE3 4.02Å; D83-W87 HydrophobicContact CB-CD2 4.43Å; D83-W87 HydrophobicContact CB-CZ2 4.25Å; D83-W87 WeakPolarHBondContact O-CB 3.28Å; D83-W87 VanDerWaalsContact O-CD1 3.27Å; D83-W87 PolarHBondContact O-N 2.91Å; W87-K89 PolarHBondContact O-N 3.29Å; W87-R90 PolarHBondContact O-N 3.35Å; W87-R90 VanDerWaalsContact O-N 3.14Å; W87-L93 HydrophobicContact CB-CD2 3.65Å; W87-L93 HydrophobicContact CD2-CD2 4.11Å; W87-L93 HydrophobicContact CE3-CD2 4.47Å; W87-L93 HydrophobicContact CG-CD2 3.73Å
88	N	98.3	Very high	97.2	Very high	48 Å²	48	79.8 Å²	79.8	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-69.8	-18.6	173.2	-73.1	-32.4	0	0	0	113.7	L72 F73 A84 L94	L72-N88 WeakPolarHBondContact CB-OD1 3.5Å; F73-N88 PolarHBondContact N-OD1 3.02Å; F73-N88 PolarHBondContact O-ND2 2.98Å; A84-N88 WeakPolarHBondContact O-CB 3.34Å; A84-N88 PolarHBondContact O-N 3.48Å; A84-N88 PolarHBondContact O-ND2 3.47Å; N88-L94 WeakPolarHBondContact O-CD1 3.3Å
89	K	97.8	Very high	97.2	Very high	143 Å²	143	73.4 Å²	73.4	62%	0.622	37%	0.366	S	S	*	.	H	α-helix	trans	-84.1	-14.1	172.5	-70.7	167.2	-173.9	165.9	0	112.7	D85 Q86 W87 L91	D85-K89 WeakPolarHBondContact O-CD 3.33Å; D85-K89 WeakPolarHBondContact O-CG 3.47Å; D85-K89 PolarHBondContact O-N 3.42Å; D85-K89 WeakPolarHBondContact OD1-CE 3.32Å; D85-K89 IonicContact OD1-NZ 3.98Å; D85-K89 PolarHBondContact OD1-NZ 3.47Å; D85-K89 IonicContact OD2-NZ 3.74Å; D85-K89 PolarHBondContact OD2-NZ 2.91Å; Q86-K89 PolarHBondContact O-N 2.84Å; W87-K89 PolarHBondContact O-N 3.29Å; K89-L91 PolarHBondContact O-N 2.71Å
90	R	97.8	Very high	97.3	Very high	121 Å²	121	69.2 Å²	69.2	46%	0.457	35%	0.345	S	S	.	.			trans	-88.9	97.7	177	-68.2	-135.1	-52.2	-119.1	-0.8	110.9	Q86 W87 D92 L93 L94	Q86-R90 PolarHBondContact O-N 3Å; W87-R90 PolarHBondContact O-N 3.35Å; W87-R90 VanDerWaalsContact O-N 3.14Å; R90-D92 VanDerWaalsContact C-N 3.33Å; R90-D92 WeakPolarHBondContact CB-OD1 3.4Å; R90-D92 PolarHBondContact O-N 3.32Å; R90-L93 HydrophobicContact CB-CB 3.92Å; R90-L93 PolarHBondContact O-N 3.46Å; R90-L94 PolarHBondContact O-N 2.89Å
91	L	96.1	Very high	97.4	Very high	116 Å²	116	70.2 Å²	70.2	61%	0.607	35%	0.351	S	S	*	.	H	α-helix	trans	-60	-40.7	-179.1	-72.1	173.2	0	0	0	112.8	K89 L93 L94 E95	K89-L91 PolarHBondContact O-N 2.71Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 2.82Å; L91-E95 WeakPolarHBondContact O-CB 3.33Å; L91-E95 WeakPolarHBondContact O-CG 3.43Å; L91-E95 PolarHBondContact O-N 2.97Å
92	D	96.7	Very high	97.3	Very high	101 Å²	101	68.7 Å²	68.7	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-56.8	-43.7	176.7	61.4	-47	0	0	0	112.2	R90 T96	R90-D92 VanDerWaalsContact C-N 3.33Å; R90-D92 WeakPolarHBondContact CB-OD1 3.4Å; R90-D92 PolarHBondContact O-N 3.32Å; D92-T96 WeakPolarHBondContact O-CB 3.45Å; D92-T96 PolarHBondContact O-N 2.86Å; D92-T96 VanDerWaalsContact O-N 3.12Å; D92-T96 PolarHBondContact O-OG1 2.84Å
93	L	96.1	Very high	97.3	Very high	40 Å²	40	69.8 Å²	69.8	21%	0.209	35%	0.348	C	S	.	.	H	α-helix	trans	-69.9	-47	178.4	-177.1	66.3	0	0	0	111.3	F73 W87 R90 L91 T96 S97	F73-L93 HydrophobicContact CE2-CD2 3.69Å; F73-L93 HydrophobicContact CE2-CG 3.81Å; F73-L93 HydrophobicContact CZ-CD1 4.35Å; F73-L93 HydrophobicContact CZ-CD2 3.7Å; F73-L93 HydrophobicContact CZ-CG 3.79Å; W87-L93 HydrophobicContact CB-CD2 3.65Å; W87-L93 HydrophobicContact CD2-CD2 4.11Å; W87-L93 HydrophobicContact CE3-CD2 4.47Å; W87-L93 HydrophobicContact CG-CD2 3.73Å; R90-L93 HydrophobicContact CB-CB 3.92Å; R90-L93 PolarHBondContact O-N 3.46Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 2.87Å; L93-T96 PolarHBondContact O-N 3.14Å; L93-S97 WeakPolarHBondContact O-CB 3.43Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 2.91Å
94	L	96.6	Very high	97.2	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-45.1	179.1	-81.9	178.8	0	0	0	112.6	F66 L72 F73 N88 R90 L91 S97 R98	F66-L94 HydrophobicContact CE2-CD2 4.24Å; L72-L94 HydrophobicContact CB-CD2 4.25Å; F73-L94 HydrophobicContact CD2-CD2 3.83Å; F73-L94 HydrophobicContact CE2-CD2 3.95Å; N88-L94 WeakPolarHBondContact O-CD1 3.3Å; R90-L94 PolarHBondContact O-N 2.89Å; L91-L94 PolarHBondContact O-N 2.82Å; L94-S97 PolarHBondContact O-N 3.47Å; L94-R98 WeakPolarHBondContact O-CB 3.33Å; L94-R98 WeakPolarHBondContact O-CD 3.42Å; L94-R98 WeakPolarHBondContact O-CG 3.42Å; L94-R98 PolarHBondContact O-N 3.38Å
95	E	97.1	Very high	97.2	Very high	120 Å²	120	70.5 Å²	70.5	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-43.4	178.3	-73.5	-178.7	174.1	0	0	111.2	L91 R98 A99	L91-E95 WeakPolarHBondContact O-CB 3.33Å; L91-E95 WeakPolarHBondContact O-CG 3.43Å; L91-E95 PolarHBondContact O-N 2.97Å; E95-R98 PolarHBondContact O-N 2.8Å; E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.36Å; E95-A99 PolarHBondContact O-N 3.33Å
96	T	96.8	Very high	97.2	Very high	88 Å²	88	69.6 Å²	69.6	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-46.2	175.8	-57.6	0	0	0	0	111.5	D92 L93 A99 A100	D92-T96 WeakPolarHBondContact O-CB 3.45Å; D92-T96 PolarHBondContact O-N 2.86Å; D92-T96 VanDerWaalsContact O-N 3.12Å; D92-T96 PolarHBondContact O-OG1 2.84Å; L93-T96 PolarHBondContact O-N 3.14Å; T96-A99 PolarHBondContact O-N 3.33Å; T96-A100 PolarHBondContact O-N 3.01Å
97	S	97	Very high	97.2	Very high	18 Å²	18	69 Å²	69	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-40.4	178	-68.4	0	0	0	0	112.6	F66 L93 L94 A99 A100	F66-S97 WeakPolarHBondContact CE1-O 3.48Å; F66-S97 VanDerWaalsContact CE2-CB 3.48Å; L93-S97 WeakPolarHBondContact O-CB 3.43Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 2.91Å; L94-S97 PolarHBondContact O-N 3.47Å; S97-A99 VanDerWaalsContact C-N 3.34Å; S97-A100 VanDerWaalsContact O-CB 3.3Å; S97-A100 WeakPolarHBondContact O-CB 3.01Å; S97-A100 PolarHBondContact O-N 3.05Å
98	R	97.8	Very high	97.1	Very high	112 Å²	112	72.3 Å²	72.3	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.2	-71.6	166.6	-172.7	156.3	2.2	111.5	F66 G71 L94 E95 A100	F66-R98 HydrophobicContact CE2-CG 4.41Å; F66-R98 HydrophobicContact CZ-CG 3.9Å; G71-R98 VanDerWaalsContact O-CZ 3.26Å; G71-R98 PolarHBondContact O-NE 3.42Å; G71-R98 PolarHBondContact O-NH2 3.13Å; L94-R98 WeakPolarHBondContact O-CB 3.33Å; L94-R98 WeakPolarHBondContact O-CD 3.42Å; L94-R98 WeakPolarHBondContact O-CG 3.42Å; L94-R98 PolarHBondContact O-N 3.38Å; E95-R98 PolarHBondContact O-N 2.8Å; R98-A100 PolarHBondContact O-N 2.96Å
99	A	97.8	Very high	97.1	Very high	34 Å²	34	72.6 Å²	72.6	28%	0.281	36%	0.355	S	S	.	.	H	α-helix	trans	-71.1	-19	-179.8	0	0	0	0	0	113	E95 T96 S97 V101 N102 M103	E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.36Å; E95-A99 PolarHBondContact O-N 3.33Å; T96-A99 PolarHBondContact O-N 3.33Å; S97-A99 VanDerWaalsContact C-N 3.34Å; A99-V101 PolarHBondContact O-N 3.39Å; A99-N102 PolarHBondContact O-N 2.61Å; A99-M103 HydrophobicContact CB-CE 3.32Å; A99-M103 HydrophobicContact CB-SD 4.16Å; A99-M103 WeakPolarHBondContact O-CG 2.98Å; A99-M103 PolarHBondContact O-N 2.98Å
100	A	97.8	Very high	97	Very high	8 Å²	8	72 Å²	72	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-59.4	-27.1	178.7	0	0	0	0	0	113.8	F52 T96 S97 R98 N102 V104 C105	F52-A100 HydrophobicContact CD1-CB 3.61Å; F52-A100 HydrophobicContact CE1-CB 3.36Å; F52-A100 HydrophobicContact CG-CB 4.28Å; F52-A100 HydrophobicContact CZ-CB 3.85Å; T96-A100 PolarHBondContact O-N 3.01Å; S97-A100 VanDerWaalsContact O-CB 3.3Å; S97-A100 WeakPolarHBondContact O-CB 3.01Å; S97-A100 PolarHBondContact O-N 3.05Å; R98-A100 PolarHBondContact O-N 2.96Å; A100-N102 PolarHBondContact O-N 3.49Å; A100-V104 HydrophobicContact CB-CG2 4.24Å; A100-V104 WeakPolarHBondContact O-CA 3.41Å; A100-V104 VanDerWaalsContact O-CB 3.32Å; A100-V104 WeakPolarHBondContact O-CB 3.39Å; A100-V104 PolarHBondContact O-N 2.89Å; A100-C105 PolarHBondContact O-N 2.87Å; A100-C105 VanDerWaalsContact O-N 3.1Å
101	V	98.1	Very high	96.9	Very high	20 Å²	20	71.5 Å²	71.5	12%	0.121	36%	0.358	C	S	.	.	I	π-helix	trans	-53.2	-44	171.5	177.1	0	0	0	0	111	V50 F52 A99 C105 R106	V50-V101 HydrophobicContact CB-CG1 3.94Å; V50-V101 HydrophobicContact CG1-CG1 3.93Å; F52-V101 HydrophobicContact CB-CG2 3.7Å; A99-V101 PolarHBondContact O-N 3.39Å; V101-C105 WeakPolarHBondContact O-CB 3.42Å; V101-R106 WeakPolarHBondContact O-CG 3.42Å; V101-R106 PolarHBondContact O-N 3.33Å; V101-R106 VanDerWaalsContact O-N 3.1Å
102	N	97.4	Very high	96.9	Very high	91 Å²	91	66.5 Å²	66.5	49%	0.487	34%	0.335	S	S	.	.	I	π-helix	trans	-90.4	-43.6	-177.8	-67.3	-32.2	0	0	0	112.2	A99 A100 R106	A99-N102 PolarHBondContact O-N 2.61Å; A100-N102 PolarHBondContact O-N 3.49Å; N102-R106 WeakPolarHBondContact OD1-CD 3.27Å; N102-R106 PolarHBondContact OD1-NE 2.92Å
103	M	95.6	Very high	96.8	Very high	112 Å²	112	62 Å²	62	55%	0.552	31%	0.312	S	S	*	.	I	π-helix	trans	-76	-31	-173	-63.4	-171.6	-56.5	0	0	112.9	A99 Q107	A99-M103 HydrophobicContact CB-CE 3.32Å; A99-M103 HydrophobicContact CB-SD 4.16Å; A99-M103 WeakPolarHBondContact O-CG 2.98Å; A99-M103 PolarHBondContact O-N 2.98Å; M103-Q107 WeakPolarHBondContact O-CB 3.48Å; M103-Q107 VanDerWaalsContact O-CG 3.31Å; M103-Q107 WeakPolarHBondContact O-CG 3.35Å
104	V	96.1	Very high	96.8	Very high	67 Å²	67	63.7 Å²	63.7	41%	0.406	33%	0.325	S	S	.	.	I	π-helix	trans	-105.8	-71.6	179	-175.8	0	0	0	0	109.1	A100 R106 Q107 E108	A100-V104 HydrophobicContact CB-CG2 4.24Å; A100-V104 WeakPolarHBondContact O-CA 3.41Å; A100-V104 VanDerWaalsContact O-CB 3.32Å; A100-V104 WeakPolarHBondContact O-CB 3.39Å; A100-V104 PolarHBondContact O-N 2.89Å; V104-R106 PolarHBondContact O-N 3.32Å; V104-Q107 PolarHBondContact O-N 2.95Å; V104-Q107 VanDerWaalsContact O-N 3.13Å; V104-E108 HydrophobicContact CG1-CG 4.22Å; V104-E108 WeakPolarHBondContact O-CB 3.36Å; V104-E108 WeakPolarHBondContact O-CG 3.44Å; V104-E108 PolarHBondContact O-N 2.84Å
105	C	98	Very high	96.6	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.351	C	S	.	.	I	π-helix	trans	-57.9	-51.9	-167.4	-59.8	0	0	0	0	113.4	C41 F43 V50 F52 A100 V101 Q107 Y109	C41-C105 HydrophobicContact CB-CB 3.59Å; C41-C105 WeakPolarHBondContact CB-SG 3.44Å; C41-C105 WeakPolarHBondContact SG-CA 3.29Å; C41-C105 WeakPolarHBondContact SG-CB 3.43Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 2.85Å; F43-C105 HydrophobicContact CE1-CB 4.04Å; F43-C105 WeakPolarHBondContact CE1-O 3.49Å; F43-C105 HydrophobicContact CZ-CB 3.88Å; F43-C105 VanDerWaalsContact CZ-O 3.26Å; F43-C105 WeakPolarHBondContact CZ-O 3.48Å; V50-C105 HydrophobicContact CG1-CB 3.57Å; F52-C105 WeakPolarHBondContact CD2-SG 3.34Å; A100-C105 PolarHBondContact O-N 2.87Å; A100-C105 VanDerWaalsContact O-N 3.1Å; V101-C105 WeakPolarHBondContact O-CB 3.42Å; C105-Q107 VanDerWaalsContact C-N 3.35Å; C105-Q107 PolarHBondContact O-N 2.93Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.92Å
106	R	98.1	Very high	96.5	Very high	65 Å²	65	65.3 Å²	65.3	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-68	-33.3	-179.6	-69.7	177.8	-173.1	-85.5	-12	113.3	T47 V50 V101 N102 V104 K110	T47-R106 PolarHBondContact O-NH1 3.49Å; T47-R106 PolarHBondContact O-NH2 3.29Å; T47-R106 VanDerWaalsContact O-NH2 3.1Å; V50-R106 HydrophobicContact CG2-CG 4.09Å; V101-R106 WeakPolarHBondContact O-CG 3.42Å; V101-R106 PolarHBondContact O-N 3.33Å; V101-R106 VanDerWaalsContact O-N 3.1Å; N102-R106 WeakPolarHBondContact OD1-CD 3.27Å; N102-R106 PolarHBondContact OD1-NE 2.92Å; V104-R106 PolarHBondContact O-N 3.32Å; R106-K110 VanDerWaalsContact O-CG 3.29Å; R106-K110 WeakPolarHBondContact O-CG 3.47Å; R106-K110 PolarHBondContact O-N 2.94Å
107	Q	96.3	Very high	96.4	Very high	94 Å²	94	65 Å²	65	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-69.5	-49.3	177	-68.6	-63.9	-15.4	0	0	110.3	M103 V104 C105 Y109 K110 L111	M103-Q107 WeakPolarHBondContact O-CB 3.48Å; M103-Q107 VanDerWaalsContact O-CG 3.31Å; M103-Q107 WeakPolarHBondContact O-CG 3.35Å; V104-Q107 PolarHBondContact O-N 2.95Å; V104-Q107 VanDerWaalsContact O-N 3.13Å; C105-Q107 VanDerWaalsContact C-N 3.35Å; C105-Q107 PolarHBondContact O-N 2.93Å; Q107-Y109 VanDerWaalsContact C-N 3.32Å; Q107-Y109 PolarHBondContact O-N 2.79Å; Q107-K110 WeakPolarHBondContact O-CB 3.35Å; Q107-K110 PolarHBondContact O-N 2.98Å; Q107-K110 VanDerWaalsContact O-N 3.08Å; Q107-L111 WeakPolarHBondContact O-CG 3.41Å; Q107-L111 PolarHBondContact O-N 2.91Å
108	E	96	Very high	96.3	Very high	113 Å²	113	70.4 Å²	70.4	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-38.5	178.1	-67.9	-54.5	141.8	0	0	112.1	V104 K110 L111 G112	V104-E108 HydrophobicContact CG1-CG 4.22Å; V104-E108 WeakPolarHBondContact O-CB 3.36Å; V104-E108 WeakPolarHBondContact O-CG 3.44Å; V104-E108 PolarHBondContact O-N 2.84Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 2.72Å; E108-L111 PolarHBondContact O-N 3.03Å; E108-G112 WeakPolarHBondContact O-CA 3.27Å; E108-G112 PolarHBondContact O-N 3.14Å
109	Y	97.4	Very high	96.2	Very high	54 Å²	54	69.9 Å²	69.9	21%	0.212	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-43.9	173.3	-171.6	-82.3	0	0	0	111.7	F43 G46 T47 C105 Q107 L111 G112 A113 V117	F43-Y109 HydrophobicContact CB-CD2 4.31Å; F43-Y109 HydrophobicContact CB-CE2 4.22Å; F43-Y109 AromaticContact CD1-CD2 3.55Å; F43-Y109 HydrophobicContact CD1-CD2 3.55Å; F43-Y109 HydrophobicContact CD1-CE2 4.22Å; F43-Y109 HydrophobicContact CD1-CG 4.12Å; F43-Y109 AromaticContact CD2-CD2 3.89Å; F43-Y109 HydrophobicContact CD2-CD2 3.89Å; F43-Y109 HydrophobicContact CD2-CE2 4.44Å; F43-Y109 AromaticContact CE1-CD2 3.74Å; F43-Y109 HydrophobicContact CE1-CD2 3.74Å; F43-Y109 AromaticContact CE1-CG 3.99Å; F43-Y109 HydrophobicContact CE1-CG 3.99Å; F43-Y109 HydrophobicContact CE2-CD2 4.04Å; F43-Y109 AromaticContact CG-CD2 3.64Å; F43-Y109 HydrophobicContact CG-CD2 3.64Å; F43-Y109 HydrophobicContact CG-CE2 4.04Å; F43-Y109 AromaticContact CZ-CD2 3.98Å; F43-Y109 HydrophobicContact CZ-CD2 3.98Å; F43-Y109 HydrophobicContact CZ-CG 4.36Å; G46-Y109 WeakPolarHBondContact CA-OH 3.09Å; T47-Y109 HydrophobicContact CG2-CD1 3.41Å; T47-Y109 VanDerWaalsContact CG2-CD1 3.41Å; T47-Y109 HydrophobicContact CG2-CD2 4.49Å; T47-Y109 HydrophobicContact CG2-CE1 4.02Å; T47-Y109 HydrophobicContact CG2-CG 3.7Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.92Å; Q107-Y109 VanDerWaalsContact C-N 3.32Å; Q107-Y109 PolarHBondContact O-N 2.79Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 2.89Å; Y109-G112 PolarHBondContact O-N 2.02Å; Y109-A113 HydrophobicContact CD1-CB 4.11Å; Y109-A113 HydrophobicContact CE1-CB 3.82Å; Y109-A113 WeakPolarHBondContact O-CB 3.37Å; Y109-A113 PolarHBondContact O-N 2.72Å; Y109-V117 HydrophobicContact CE2-CG2 4.05Å
110	K	96.2	Very high	96.2	Very high	131 Å²	131	72.1 Å²	72.1	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-64.2	-38.7	178.9	-73	171.2	-178.2	-178.4	0	112.2	R106 Q107 E108	R106-K110 VanDerWaalsContact O-CG 3.29Å; R106-K110 WeakPolarHBondContact O-CG 3.47Å; R106-K110 PolarHBondContact O-N 2.94Å; Q107-K110 WeakPolarHBondContact O-CB 3.35Å; Q107-K110 PolarHBondContact O-N 2.98Å; Q107-K110 VanDerWaalsContact O-N 3.08Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 2.72Å
111	L	95.9	Very high	96.2	Very high	109 Å²	109	73.4 Å²	73.4	57%	0.571	37%	0.366	S	S	*	.	H	α-helix	trans	-72.3	-41.5	177.6	-65.1	174.6	0	0	0	111.1	Q107 E108 Y109 F115	Q107-L111 WeakPolarHBondContact O-CG 3.41Å; Q107-L111 PolarHBondContact O-N 2.91Å; E108-L111 PolarHBondContact O-N 3.03Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 2.89Å; L111-F115 WeakPolarHBondContact O-CE1 3.43Å
112	G	95.7	Very high	96.2	Very high	11 Å²	11	75.8 Å²	75.8	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-82.8	-33.9	-172.1	0	0	0	0	0	115.9	E108 Y109 P114 F115 T116	E108-G112 WeakPolarHBondContact O-CA 3.27Å; E108-G112 PolarHBondContact O-N 3.14Å; Y109-G112 PolarHBondContact O-N 2.02Å; G112-P114 VanDerWaalsContact C-CD 3.45Å; G112-F115 VanDerWaalsContact CA-CZ 3.46Å; G112-F115 PolarHBondContact O-N 3.15Å; G112-T116 VanDerWaalsContact C-OG1 3.32Å; G112-T116 PolarHBondContact O-N 3.47Å; G112-T116 PolarHBondContact O-OG1 3.03Å
113	A	96.1	Very high	96.2	Very high	8 Å²	8	72.3 Å²	72.3	7%	0.066	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-54.4	-42.9	-172.9	0	0	0	0	0	114.1	Y109 F115 T116 V117 E118	Y109-A113 HydrophobicContact CD1-CB 4.11Å; Y109-A113 HydrophobicContact CE1-CB 3.82Å; Y109-A113 WeakPolarHBondContact O-CB 3.37Å; Y109-A113 PolarHBondContact O-N 2.72Å; A113-F115 PolarHBondContact O-N 3.45Å; A113-F115 VanDerWaalsContact O-N 3.13Å; A113-T116 PolarHBondContact O-N 2.92Å; A113-V117 HydrophobicContact CB-CB 4.12Å; A113-V117 HydrophobicContact CB-CG2 4.17Å; A113-V117 PolarHBondContact O-N 2.94Å; A113-E118 PolarHBondContact O-N 3.22Å
114	P	95.5	Very high	96.4	Very high	74 Å²	74	72.6 Å²	72.6	48%	0.481	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-59.1	-28.2	-178.9	-27.3	36.8	0	0	0	114.9	G112	G112-P114 VanDerWaalsContact C-CD 3.45Å
115	F	92.3	Very high	96.5	Very high	134 Å²	134	70.5 Å²	70.5	59%	0.588	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-111.9	-2.5	-178.3	58.8	-100.3	0	0	0	114.1	L111 G112 A113	L111-F115 WeakPolarHBondContact O-CE1 3.43Å; G112-F115 VanDerWaalsContact CA-CZ 3.46Å; G112-F115 PolarHBondContact O-N 3.15Å; A113-F115 PolarHBondContact O-N 3.45Å; A113-F115 VanDerWaalsContact O-N 3.13Å
116	T	95.1	Very high	96.5	Very high	29 Å²	29	73 Å²	73	18%	0.178	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-69	176.9	58.2	0	0	0	0	111.2	G112 A113 R119 Y149 W179	G112-T116 VanDerWaalsContact C-OG1 3.32Å; G112-T116 PolarHBondContact O-N 3.47Å; G112-T116 PolarHBondContact O-OG1 3.03Å; A113-T116 PolarHBondContact O-N 2.92Å; T116-R119 WeakPolarHBondContact O-CB 3.27Å; T116-R119 PolarHBondContact O-N 3.38Å; T116-Y149 VanDerWaalsContact O-CE1 3.31Å; T116-Y149 WeakPolarHBondContact O-CE1 3.45Å; T116-W179 HydrophobicContact CG2-CH2 3.63Å; T116-W179 HydrophobicContact CG2-CZ3 3.56Å
117	V	95.1	Very high	96.4	Very high	82 Å²	82	71 Å²	71	50%	0.497	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-42.4	-176.3	-179.8	0	0	0	0	112.2	Y109 A113 R119	Y109-V117 HydrophobicContact CE2-CG2 4.05Å; A113-V117 HydrophobicContact CB-CB 4.12Å; A113-V117 HydrophobicContact CB-CG2 4.17Å; A113-V117 PolarHBondContact O-N 2.94Å; V117-R119 VanDerWaalsContact C-N 3.29Å
118	E	94.7	Very high	96.2	Very high	131 Å²	131	70.8 Å²	70.8	61%	0.612	36%	0.358	S	S	*	.	S	Bend	trans	-85.7	-6	-178.6	-63.4	175.6	-164.8	0	0	112.6	A113 N120	A113-E118 PolarHBondContact O-N 3.22Å; E118-N120 PolarHBondContact O-N 3.21Å; E118-N120 PolarHBondContact O-ND2 2.94Å
119	R	95.9	Very high	96	Very high	101 Å²	101	67.4 Å²	67.4	38%	0.381	35%	0.346	S	S	.	.			trans	-69	124.2	178.5	179.1	-178.1	173.7	79.2	-0.6	109.2	T116 V117 V121 Y149	T116-R119 WeakPolarHBondContact O-CB 3.27Å; T116-R119 PolarHBondContact O-N 3.38Å; V117-R119 VanDerWaalsContact C-N 3.29Å; R119-V121 HydrophobicContact CG-CG2 4.33Å; R119-Y149 HydrophobicContact CB-CD1 4.12Å; R119-Y149 HydrophobicContact CB-CE1 4.09Å; R119-Y149 HydrophobicContact CG-CD1 3.93Å; R119-Y149 HydrophobicContact CG-CE1 4.32Å; R119-Y149 VanDerWaalsContact O-CD1 3.3Å; R119-Y149 WeakPolarHBondContact O-CD1 3.25Å
120	N	96.9	Very high	95.4	Very high	81 Å²	81	68.9 Å²	68.9	43%	0.433	36%	0.355	S	S	.	.			trans	-127.3	128.5	170.3	-68.9	-67.3	0	0	0	109.4	E118 Y149 P150	E118-N120 PolarHBondContact O-N 3.21Å; E118-N120 PolarHBondContact O-ND2 2.94Å; N120-Y149 CarbonylContact C-O 3.59Å; N120-Y149 WeakPolarHBondContact CA-O 3.49Å; N120-P150 WeakPolarHBondContact OD1-CD 3.39Å
121	V	97.8	Very high	94.2	Very high	34 Å²	34	69.5 Å²	69.5	21%	0.206	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-123.2	116.5	173.5	-173.8	0	0	0	0	106.7	R119 D147 F148 Y149 H203	R119-V121 HydrophobicContact CG-CG2 4.33Å; V121-D147 WeakPolarHBondContact CG1-O 3.3Å; V121-F148 WeakPolarHBondContact O-CA 3.49Å; V121-Y149 PolarHBondContact N-O 2.84Å; V121-Y149 PolarHBondContact O-N 3.05Å; V121-H203 PolarHBondContact O-CE1 3.31Å; V121-H203 VanDerWaalsContact O-CE1 3.22Å
122	P	98.1	Very high	92.5	Very high	71 Å²	71	66.3 Å²	66.3	46%	0.461	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.6	147	-179.3	28.8	-34.3	0	0	0	110.8	L206	P122-L206 HydrophobicContact CB-CD2 3.76Å; P122-L206 HydrophobicContact CB-CG 4.48Å
123	P	98.4	Very high	90.6	Very high	17 Å²	17	72 Å²	72	11%	0.11	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72	150.2	175.9	27.5	-33.2	0	0	0	113.2	V125 V145 T146 F148 V201 H203 L206	P123-V125 HydrophobicContact CB-CG2 4.34Å; P123-V125 HydrophobicContact CG-CG2 4.38Å; P123-V145 HydrophobicContact CB-CG1 3.45Å; P123-V145 VanDerWaalsContact CB-CG1 3.45Å; P123-V145 HydrophobicContact CG-CG1 4.23Å; P123-T146 WeakPolarHBondContact CA-O 3.46Å; P123-F148 HydrophobicContact CB-CB 3.73Å; P123-F148 HydrophobicContact CB-CD1 4.05Å; P123-F148 HydrophobicContact CB-CG 4.16Å; P123-F148 HydrophobicContact CG-CB 4.43Å; P123-V201 HydrophobicContact CG-CG1 4.01Å; P123-H203 HydrophobicContact CG-CB 4.18Å; P123-L206 HydrophobicContact CG-CD1 3.84Å; P123-L206 HydrophobicContact CG-CD2 4.46Å; P123-L206 HydrophobicContact CG-CG 4.21Å
124	E	98.1	Very high	88.7	Confident	118 Å²	118	79.5 Å²	79.5	55%	0.551	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.4	156.5	-173.6	169.3	175.6	0	0	109.1	V145 T146	E124-V145 WeakPolarHBondContact O-CA 3.34Å; E124-T146 PolarHBondContact N-O 3.27Å; E124-T146 PolarHBondContact O-N 2.8Å
125	V	98.4	Very high	86.8	Confident	23 Å²	23	81.1 Å²	81.1	14%	0.139	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.7	-175.5	-174.5	0	0	0	0	109	P123 V145 V201 V210 V212	P123-V125 HydrophobicContact CB-CG2 4.34Å; P123-V125 HydrophobicContact CG-CG2 4.38Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CB-CG2 4.5Å; V125-V201 HydrophobicContact CG1-CG2 3.85Å; V125-V201 HydrophobicContact CG2-CB 4.06Å; V125-V201 HydrophobicContact CG2-CG1 4.24Å; V125-V201 HydrophobicContact CG2-CG2 3.77Å; V125-V210 HydrophobicContact CG2-CG1 4.34Å; V125-V212 HydrophobicContact CB-CG2 3.9Å; V125-V212 HydrophobicContact CG1-CB 4.2Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å
126	T	97.7	Very high	85.2	Confident	52 Å²	52	83 Å²	83	32%	0.319	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.5	176.5	57.3	0	0	0	0	110.1	C143 S144	T126-C143 CarbonylContact O-C 3.59Å; T126-C143 WeakPolarHBondContact O-CA 3.41Å; T126-S144 PolarHBondContact N-O 3.26Å; T126-S144 PolarHBondContact O-N 3.46Å; T126-S144 PolarHBondContact OG1-O 3.2Å
127	V	96.7	Very high	83.5	Confident	24 Å²	24	87.3 Å²	87.3	15%	0.145	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.3	176.2	176	0	0	0	0	109.1	L141 L142 C143 W157 C199 V212 W214	V127-L141 HydrophobicContact CG1-CD1 3.89Å; V127-L141 HydrophobicContact CG1-CD2 3.96Å; V127-L141 HydrophobicContact CG1-CG 3.82Å; V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.44Å; V127-C143 HydrophobicContact CG2-CB 4.23Å; V127-W157 HydrophobicContact CG1-CH2 3.75Å; V127-W157 HydrophobicContact CG1-CZ3 4.33Å; V127-W157 HydrophobicContact CG2-CH2 4.18Å; V127-C199 HydrophobicContact CG2-CB 3.63Å; V127-V212 HydrophobicContact CB-CG1 3.93Å; V127-V212 HydrophobicContact CG2-CB 3.81Å; V127-V212 HydrophobicContact CG2-CG1 3.72Å; V127-W214 HydrophobicContact CG1-CB 3.68Å; V127-W214 HydrophobicContact CG1-CG 4.42Å
128	Y	92.2	Very high	81.9	Confident	90 Å²	90	85.9 Å²	85.9	35%	0.353	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148	178.9	59.6	-87.4	0	0	0	111.8	L142	Y128-L142 HydrophobicContact CD2-CB 4.36Å; Y128-L142 HydrophobicContact CE1-CB 4.21Å; Y128-L142 HydrophobicContact CE2-CB 3.97Å; Y128-L142 HydrophobicContact CE2-CD2 3.73Å; Y128-L142 HydrophobicContact CE2-CG 4.37Å; Y128-L142 PolarHBondContact N-O 3.06Å; Y128-L142 PolarHBondContact O-N 3.46Å; Y128-L142 WeakPolarHBondContact OH-CD2 3.36Å
129	P	91.4	Very high	81.4	Confident	42 Å²	42	80.6 Å²	80.6	27%	0.273	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	143.8	176.2	32.9	-33.6	0	0	0	110.7	H138 L140 L141 W214	P129-H138 HydrophobicContact CB-CB 3.95Å; P129-L140 WeakPolarHBondContact CA-O 3.36Å; P129-L141 HydrophobicContact CB-CD1 4.19Å; P129-W214 HydrophobicContact CB-CZ2 4.22Å; P129-W214 HydrophobicContact CG-CZ2 4.32Å
130	E	84.8	Confident	81.1	Confident	85 Å²	85	77.5 Å²	77.5	40%	0.397	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.2	175.4	-171.7	58.8	-118.3	0	0	110.3	L140 L142	E130-L140 PolarHBondContact N-O 3.01Å; E130-L142 HydrophobicContact CB-CD1 3.41Å; E130-L142 VanDerWaalsContact CB-CD1 3.41Å; E130-L142 HydrophobicContact CB-CD2 4.41Å; E130-L142 HydrophobicContact CG-CD1 4.3Å
131	R	72.3	Confident	80.9	Confident	144 Å²	144	73.7 Å²	73.7	54%	0.543	38%	0.378	S	S	.	.			trans	-91.6	115.1	179.4	-67.7	-178.4	-176.3	178.6	-2.1	109.5	H138	R131-H138 PolarHBondContact NE-NE2 2.86Å; R131-H138 VanDerWaalsContact NE-NE2 3.14Å
132	T	59	Low	80.9	Confident	41 Å²	41	72.9 Å²	72.9	25%	0.252	37%	0.373	S	S	.	.			trans	-70.4	129.8	169.5	46.2	0	0	0	0	110.3	L134 L135 Q136 L140	T132-L134 PolarHBondContact O-N 3.47Å; T132-L135 PolarHBondContact O-N 2.94Å; T132-Q136 PolarHBondContact O-N 2.92Å; T132-L140 HydrophobicContact CG2-CB 4.27Å
133	P	57	Low	80.9	Confident	130 Å²	130	69.5 Å²	69.5	84%	0.844	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.2	-175	-26.3	32.7	0	0	0	114.8
134	L	55.6	Low	80.9	Confident	167 Å²	167	69.4 Å²	69.4	87%	0.874	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-29.5	-172.6	-68.4	169.8	0	0	0	114	T132	T132-L134 PolarHBondContact O-N 3.47Å
135	L	55.5	Low	80.9	Confident	108 Å²	108	63.8 Å²	63.8	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-8.9	-170.3	-71.9	166.9	0	0	0	114	T132 Q137 N139	T132-L135 PolarHBondContact O-N 2.94Å; L135-Q137 PolarHBondContact O-N 3.48Å; L135-N139 WeakPolarHBondContact CD1-ND2 3.31Å
136	Q	57.7	Low	80.9	Confident	173 Å²	173	64 Å²	64	81%	0.808	33%	0.325	S	S	*	.	S	Bend	trans	51.8	11.6	-174.1	-70.9	-178.1	-15.4	0	0	114.6	T132	T132-Q136 PolarHBondContact O-N 2.92Å
137	Q	59.3	Low	80.9	Confident	120 Å²	120	65 Å²	65	56%	0.561	33%	0.329	S	S	*	.	S	Bend	trans	-105.4	149.9	175	-72.8	176.3	-24.7	0	0	109.9	L135 N139	L135-Q137 PolarHBondContact O-N 3.48Å; Q137-N139 VanDerWaalsContact CB-OD1 3.25Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.17Å; Q137-N139 PolarHBondContact O-N 3.29Å
138	H	63.3	Low	81	Confident	52 Å²	52	63.9 Å²	63.9	24%	0.241	32%	0.322	C	S	.	.			trans	-77.6	70.3	176.6	-59.5	94.6	0	0	0	109.8	P129 R131 L140 M189 E219	P129-H138 HydrophobicContact CB-CB 3.95Å; R131-H138 PolarHBondContact NE-NE2 2.86Å; R131-H138 VanDerWaalsContact NE-NE2 3.14Å; H138-L140 VanDerWaalsContact C-N 3.29Å; H138-M189 WeakPolarHBondContact O-CE 3.5Å; H138-E219 IonicContact CE1-OE1 3.35Å
139	N	82.6	Confident	81.2	Confident	20 Å²	20	61.3 Å²	61.3	11%	0.107	31%	0.312	C	S	.	.			trans	-92.2	5	-178.7	-62.5	-5.8	0	0	0	112.2	L135 Q137 E188 M189	L135-N139 WeakPolarHBondContact CD1-ND2 3.31Å; Q137-N139 VanDerWaalsContact CB-OD1 3.25Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.17Å; Q137-N139 PolarHBondContact O-N 3.29Å; N139-E188 CarbonylContact O-C 3.59Å; N139-E188 WeakPolarHBondContact O-CA 3.31Å; N139-M189 CarbonylContact C-O 3.48Å; N139-M189 WeakPolarHBondContact CA-O 3.47Å; N139-M189 WeakPolarHBondContact CB-O 3.45Å; N139-M189 PolarHBondContact O-N 3.29Å
140	L	90.4	Very high	81.5	Confident	36 Å²	36	60.7 Å²	60.7	19%	0.188	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129	-179.8	-162.4	71.4	0	0	0	109.1	P129 E130 T132 H138 L142 M186 L187 E188	P129-L140 WeakPolarHBondContact CA-O 3.36Å; E130-L140 PolarHBondContact N-O 3.01Å; T132-L140 HydrophobicContact CG2-CB 4.27Å; H138-L140 VanDerWaalsContact C-N 3.29Å; L140-L142 HydrophobicContact CB-CD1 4.41Å; L140-L142 HydrophobicContact CD2-CD1 3.75Å; L140-L142 HydrophobicContact CG-CD1 3.8Å; L140-M186 HydrophobicContact CD1-CB 4.1Å; L140-M186 HydrophobicContact CD2-CG 4.46Å; L140-M186 HydrophobicContact CD2-SD 4.48Å; L140-M186 HydrophobicContact CG-CB 4.42Å; L140-L187 WeakPolarHBondContact CA-O 3.33Å; L140-E188 HydrophobicContact CD1-CB 4.45Å
141	L	93.5	Very high	82.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.9	173.9	-162.6	65.7	0	0	0	109	V127 P129 W157 M186 L187 M189 Y197 W214	V127-L141 HydrophobicContact CG1-CD1 3.89Å; V127-L141 HydrophobicContact CG1-CD2 3.96Å; V127-L141 HydrophobicContact CG1-CG 3.82Å; P129-L141 HydrophobicContact CB-CD1 4.19Å; L141-W157 HydrophobicContact CB-CH2 4.19Å; L141-W157 HydrophobicContact CB-CZ2 4.37Å; L141-W157 HydrophobicContact CD2-CE3 4.38Å; L141-W157 HydrophobicContact CD2-CH2 3.36Å; L141-W157 HydrophobicContact CD2-CZ2 4.28Å; L141-W157 HydrophobicContact CD2-CZ3 3.42Å; L141-W157 VanDerWaalsContact CD2-CZ3 3.42Å; L141-W157 HydrophobicContact CG-CH2 3.57Å; L141-W157 HydrophobicContact CG-CZ2 4.19Å; L141-W157 HydrophobicContact CG-CZ3 4.17Å; L141-M186 CarbonylContact O-C 3.52Å; L141-M186 VanDerWaalsContact O-CA 3.29Å; L141-M186 WeakPolarHBondContact O-CA 3.47Å; L141-L187 HydrophobicContact CB-CB 4.49Å; L141-L187 PolarHBondContact N-O 3.02Å; L141-L187 PolarHBondContact O-N 2.71Å; L141-M189 HydrophobicContact CB-CE 3.84Å; L141-M189 HydrophobicContact CB-SD 4.1Å; L141-M189 HydrophobicContact CD1-CE 4.03Å; L141-M189 HydrophobicContact CD2-CE 4.5Å; L141-M189 HydrophobicContact CD2-SD 4.36Å; L141-M189 HydrophobicContact CG-CE 4.34Å; L141-Y197 VanDerWaalsContact CD2-CB 3.49Å; L141-Y197 HydrophobicContact CD2-CG 4.03Å; L141-W214 HydrophobicContact CD1-CB 4.17Å; L141-W214 HydrophobicContact CD1-CD2 3.67Å; L141-W214 HydrophobicContact CD1-CE3 4Å; L141-W214 HydrophobicContact CD1-CG 3.73Å; L141-W214 HydrophobicContact CD2-CB 4.14Å; L141-W214 HydrophobicContact CD2-CD2 4.36Å; L141-W214 HydrophobicContact CD2-CE3 4.08Å; L141-W214 HydrophobicContact CD2-CG 4.41Å
142	L	96.4	Very high	83.3	Confident	18 Å²	18	56.3 Å²	56.3	9%	0.094	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.3	-179.2	-79.6	65	0	0	0	108.7	V127 Y128 E130 L140 T184 M186	V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.44Å; Y128-L142 HydrophobicContact CD2-CB 4.36Å; Y128-L142 HydrophobicContact CE1-CB 4.21Å; Y128-L142 HydrophobicContact CE2-CB 3.97Å; Y128-L142 HydrophobicContact CE2-CD2 3.73Å; Y128-L142 HydrophobicContact CE2-CG 4.37Å; Y128-L142 PolarHBondContact N-O 3.06Å; Y128-L142 PolarHBondContact O-N 3.46Å; Y128-L142 WeakPolarHBondContact OH-CD2 3.36Å; E130-L142 HydrophobicContact CB-CD1 3.41Å; E130-L142 VanDerWaalsContact CB-CD1 3.41Å; E130-L142 HydrophobicContact CB-CD2 4.41Å; E130-L142 HydrophobicContact CG-CD1 4.3Å; L140-L142 HydrophobicContact CB-CD1 4.41Å; L140-L142 HydrophobicContact CD2-CD1 3.75Å; L140-L142 HydrophobicContact CG-CD1 3.8Å; L142-T184 HydrophobicContact CB-CG2 4.18Å; L142-T184 HydrophobicContact CD2-CG2 4.16Å; L142-T184 HydrophobicContact CG-CG2 4.08Å; L142-M186 HydrophobicContact CD1-CG 4.3Å; L142-M186 HydrophobicContact CG-CG 4Å
143	C	98	Very high	85.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	100.6	162.6	-176.4	0	0	0	0	107.8	T126 V127 W157 T184 V185 C199	T126-C143 CarbonylContact O-C 3.59Å; T126-C143 WeakPolarHBondContact O-CA 3.41Å; V127-C143 HydrophobicContact CG2-CB 4.23Å; C143-W157 HydrophobicContact CB-CH2 3.94Å; C143-W157 HydrophobicContact CB-CZ2 3.44Å; C143-W157 VanDerWaalsContact CB-CZ2 3.44Å; C143-T184 WeakPolarHBondContact O-CA 3.06Å; C143-V185 PolarHBondContact N-O 3.39Å; C143-V185 PolarHBondContact O-N 3.25Å; C143-C199 HydrophobicContact CB-CB 3.58Å; C143-C199 WeakPolarHBondContact CB-SG 2.98Å; C143-C199 WeakPolarHBondContact SG-CB 3.42Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.9Å
144	S	98.1	Very high	87.1	Confident	15 Å²	15	52.4 Å²	52.4	11%	0.105	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.4	175.9	-176.2	0	0	0	0	108.8	T126	T126-S144 PolarHBondContact N-O 3.26Å; T126-S144 PolarHBondContact O-N 3.46Å; T126-S144 PolarHBondContact OG1-O 3.2Å
145	V	98.6	Very high	89.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.3	-178.5	-171	0	0	0	0	107.7	P123 E124 V125 F148 I153 V155 Q182 T183 V201	P123-V145 HydrophobicContact CB-CG1 3.45Å; P123-V145 VanDerWaalsContact CB-CG1 3.45Å; P123-V145 HydrophobicContact CG-CG1 4.23Å; E124-V145 WeakPolarHBondContact O-CA 3.34Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V145-F148 HydrophobicContact CB-CE1 4.38Å; V145-F148 HydrophobicContact CG1-CD1 3.96Å; V145-F148 HydrophobicContact CG1-CE1 3.94Å; V145-F148 WeakPolarHBondContact O-CE1 3.29Å; V145-I153 HydrophobicContact CG1-CD1 3.54Å; V145-V155 HydrophobicContact CG2-CG1 4.39Å; V145-V155 HydrophobicContact CG2-CG2 4.11Å; V145-Q182 CarbonylContact O-C 3.59Å; V145-Q182 VanDerWaalsContact O-CA 3.25Å; V145-Q182 WeakPolarHBondContact O-CA 3.32Å; V145-T183 HydrophobicContact CB-CG2 4.14Å; V145-T183 PolarHBondContact N-O 3.31Å; V145-T183 PolarHBondContact O-N 3.1Å; V145-V201 HydrophobicContact CG1-CG1 4.15Å; V145-V201 HydrophobicContact CG2-CG2 3.93Å
146	T	98.3	Very high	91.2	Very high	26 Å²	26	44.1 Å²	44.1	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	164.6	-168.3	58.5	0	0	0	0	112.8	P123 E124 F148 Q182	P123-T146 WeakPolarHBondContact CA-O 3.46Å; E124-T146 PolarHBondContact N-O 3.27Å; E124-T146 PolarHBondContact O-N 2.8Å; T146-F148 VanDerWaalsContact C-N 3.3Å; T146-F148 PolarHBondContact O-N 3.17Å; T146-Q182 HydrophobicContact CG2-CB 4.08Å
147	D	97.7	Very high	93.1	Very high	75 Å²	75	36 Å²	36	40%	0.401	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.3	32.7	167.6	-53.9	-44.5	0	0	0	115.6	V121 F181	V121-D147 WeakPolarHBondContact CG1-O 3.3Å; D147-F181 PolarHBondContact N-O 2.92Å; D147-F181 VanDerWaalsContact N-O 3.14Å
148	F	98.4	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	158.5	-177.8	65.7	-89.6	0	0	0	114.1	V121 P123 V145 T146 P150 I153 L173 T180 F181 T183 H203	V121-F148 WeakPolarHBondContact O-CA 3.49Å; P123-F148 HydrophobicContact CB-CB 3.73Å; P123-F148 HydrophobicContact CB-CD1 4.05Å; P123-F148 HydrophobicContact CB-CG 4.16Å; P123-F148 HydrophobicContact CG-CB 4.43Å; V145-F148 HydrophobicContact CB-CE1 4.38Å; V145-F148 HydrophobicContact CG1-CD1 3.96Å; V145-F148 HydrophobicContact CG1-CE1 3.94Å; V145-F148 WeakPolarHBondContact O-CE1 3.29Å; T146-F148 VanDerWaalsContact C-N 3.3Å; T146-F148 PolarHBondContact O-N 3.17Å; F148-P150 WeakPolarHBondContact CD2-O 3.36Å; F148-I153 HydrophobicContact CD1-CD1 4.08Å; F148-I153 HydrophobicContact CD2-CD1 3.94Å; F148-I153 HydrophobicContact CE1-CD1 3.86Å; F148-I153 HydrophobicContact CE2-CB 3.9Å; F148-I153 HydrophobicContact CE2-CD1 3.72Å; F148-I153 HydrophobicContact CE2-CG1 4.42Å; F148-I153 HydrophobicContact CE2-CG2 3.86Å; F148-I153 HydrophobicContact CG-CD1 4.12Å; F148-I153 HydrophobicContact CZ-CB 4.27Å; F148-I153 HydrophobicContact CZ-CD1 3.68Å; F148-I153 HydrophobicContact CZ-CG2 3.83Å; F148-L173 HydrophobicContact CE2-CD1 3.88Å; F148-L173 HydrophobicContact CZ-CD1 3.61Å; F148-T180 CarbonylContact O-C 3.57Å; F148-T180 WeakPolarHBondContact O-CA 3.22Å; F148-F181 VanDerWaalsContact CD1-O 3.27Å; F148-F181 WeakPolarHBondContact CD1-O 3.1Å; F148-F181 HydrophobicContact CD2-CB 4.15Å; F148-F181 HydrophobicContact CE1-CB 4.25Å; F148-F181 WeakPolarHBondContact CE1-O 3.43Å; F148-F181 HydrophobicContact CE2-CB 3.74Å; F148-F181 HydrophobicContact CZ-CB 3.8Å; F148-F181 PolarHBondContact N-O 3.22Å; F148-F181 PolarHBondContact O-N 2.78Å; F148-T183 HydrophobicContact CE1-CG2 4.34Å; F148-T183 HydrophobicContact CZ-CG2 4.24Å; F148-H203 AromaticContact CD2-CD2 3.81Å; F148-H203 AromaticContact CD2-NE2 3.65Å
149	Y	98.2	Very high	96.5	Very high	35 Å²	35	33 Å²	33	14%	0.137	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-156.6	139.3	173.6	-173.1	-80.8	0	0	0	109.9	T116 R119 N120 V121 W179 F181 H203	T116-Y149 VanDerWaalsContact O-CE1 3.31Å; T116-Y149 WeakPolarHBondContact O-CE1 3.45Å; R119-Y149 HydrophobicContact CB-CD1 4.12Å; R119-Y149 HydrophobicContact CB-CE1 4.09Å; R119-Y149 HydrophobicContact CG-CD1 3.93Å; R119-Y149 HydrophobicContact CG-CE1 4.32Å; R119-Y149 VanDerWaalsContact O-CD1 3.3Å; R119-Y149 WeakPolarHBondContact O-CD1 3.25Å; N120-Y149 CarbonylContact C-O 3.59Å; N120-Y149 WeakPolarHBondContact CA-O 3.49Å; V121-Y149 PolarHBondContact N-O 2.84Å; V121-Y149 PolarHBondContact O-N 3.05Å; Y149-W179 WeakPolarHBondContact CD2-O 3.4Å; Y149-W179 HydrophobicContact CE2-CE3 4.03Å; Y149-F181 HydrophobicContact CD2-CD2 4.05Å; Y149-F181 AromaticContact CD2-CE2 3.6Å; Y149-F181 HydrophobicContact CD2-CE2 3.6Å; Y149-F181 AromaticContact CE2-CE2 3.88Å; Y149-F181 HydrophobicContact CE2-CE2 3.88Å; Y149-H203 PolarHBondContact O-CE1 2.91Å
150	P	97.7	Very high	97.1	Very high	29 Å²	29	36.4 Å²	36.4	19%	0.188	19%	0.191	C	C	.	.	S	Bend	cis	-73.3	178.6	1.4	32.7	-37.6	0	0	0	112.1	N120 F148 D152 H203 P204	N120-P150 WeakPolarHBondContact OD1-CD 3.39Å; F148-P150 WeakPolarHBondContact CD2-O 3.36Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.31Å; P150-H203 PolarHBondContact O-NE2 3.29Å; P150-P204 HydrophobicContact CG-CG 4.43Å
151	G	97.1	Very high	97.2	Very high	15 Å²	15	37.8 Å²	37.8	16%	0.155	21%	0.214	C	C	.	.	S	Bend	trans	-71.9	-15.4	-177.3	0	0	0	0	0	114.9	I153	G151-I153 PolarHBondContact O-N 3.21Å
152	D	96.6	Very high	97.3	Very high	123 Å²	123	45.2 Å²	45.2	66%	0.658	25%	0.249	S	C	*	.			trans	-67.1	113.7	177.2	-63.6	-53.3	0	0	0	110.3	P150 H203 P204	P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.31Å; D152-H203 PolarHBondContact O-CD2 2.79Å; D152-H203 VanDerWaalsContact O-CD2 3.22Å; D152-P204 WeakPolarHBondContact O-CD 3.42Å
153	I	98.1	Very high	97.4	Very high	46 Å²	46	47.8 Å²	47.8	24%	0.236	26%	0.26	C	S	.	.			trans	-149	147.9	-175.8	-164.1	163.4	0	0	0	110.8	V145 F148 G151 V155 T183 V201 E202 H203	V145-I153 HydrophobicContact CG1-CD1 3.54Å; F148-I153 HydrophobicContact CD1-CD1 4.08Å; F148-I153 HydrophobicContact CD2-CD1 3.94Å; F148-I153 HydrophobicContact CE1-CD1 3.86Å; F148-I153 HydrophobicContact CE2-CB 3.9Å; F148-I153 HydrophobicContact CE2-CD1 3.72Å; F148-I153 HydrophobicContact CE2-CG1 4.42Å; F148-I153 HydrophobicContact CE2-CG2 3.86Å; F148-I153 HydrophobicContact CG-CD1 4.12Å; F148-I153 HydrophobicContact CZ-CB 4.27Å; F148-I153 HydrophobicContact CZ-CD1 3.68Å; F148-I153 HydrophobicContact CZ-CG2 3.83Å; G151-I153 PolarHBondContact O-N 3.21Å; I153-V155 HydrophobicContact CD1-CG2 4.3Å; I153-V155 HydrophobicContact CG1-CG2 4.1Å; I153-T183 HydrophobicContact CG2-CG2 4.35Å; I153-V201 HydrophobicContact CD1-CG1 3.85Å; I153-V201 HydrophobicContact CG1-CG1 4.11Å; I153-E202 WeakPolarHBondContact CG1-O 3.19Å; I153-H203 HydrophobicContact CD1-CB 4.39Å; I153-H203 HydrophobicContact CG1-CB 4.22Å
154	S	98	Very high	97.3	Very high	43 Å²	43	50.6 Å²	50.6	30%	0.301	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.9	173.9	167.1	0	0	0	0	109.1	V201 E202	S154-V201 WeakPolarHBondContact O-CA 3.38Å; S154-E202 PolarHBondContact N-O 3.12Å; S154-E202 PolarHBondContact O-N 3.23Å
155	V	98.4	Very high	97.2	Very high	30 Å²	30	58.3 Å²	58.3	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.8	-177.2	-176.7	0	0	0	0	108.2	V145 I153 T183 V185 C199 L200 V201	V145-V155 HydrophobicContact CG2-CG1 4.39Å; V145-V155 HydrophobicContact CG2-CG2 4.11Å; I153-V155 HydrophobicContact CD1-CG2 4.3Å; I153-V155 HydrophobicContact CG1-CG2 4.1Å; V155-T183 HydrophobicContact CG2-CG2 4.31Å; V155-V185 HydrophobicContact CB-CG2 3.75Å; V155-V185 HydrophobicContact CG1-CB 3.84Å; V155-V185 HydrophobicContact CG1-CG1 4.45Å; V155-V185 HydrophobicContact CG1-CG2 3.54Å; V155-V185 HydrophobicContact CG2-CG2 4.4Å; V155-C199 VanDerWaalsContact CG1-SG 3.54Å; V155-L200 WeakPolarHBondContact CA-O 3.48Å; V155-V201 HydrophobicContact CG1-CG2 4.27Å; V155-V201 HydrophobicContact CG2-CG1 4.45Å; V155-V201 HydrophobicContact CG2-CG2 4.3Å
156	R	98.3	Very high	96.9	Very high	71 Å²	71	62.7 Å²	62.7	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.4	-173.1	-62.4	-174.1	-72.5	142.6	-8.4	111.2	F158 E163 L200 E202	R156-F158 HydrophobicContact CB-CE2 3.93Å; R156-E163 VanDerWaalsContact CD-OE1 3.26Å; R156-E163 WeakPolarHBondContact CD-OE1 3.45Å; R156-E163 IonicContact NH1-OE1 3.71Å; R156-L200 PolarHBondContact N-O 2.79Å; R156-L200 VanDerWaalsContact NH2-CD2 3.28Å; R156-L200 PolarHBondContact O-N 3.07Å; R156-E202 IonicContact CZ-OE1 3.75Å; R156-E202 IonicContact NE-OE1 3.69Å; R156-E202 IonicContact NH2-OE1 3.07Å; R156-E202 PolarHBondContact NH2-OE1 2.83Å
157	W	98.3	Very high	96.6	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.6	174.9	-82.7	110.5	0	0	0	111.4	V127 L141 C143 E163 E164 V168 V185 L187 S198 C199	V127-W157 HydrophobicContact CG1-CH2 3.75Å; V127-W157 HydrophobicContact CG1-CZ3 4.33Å; V127-W157 HydrophobicContact CG2-CH2 4.18Å; L141-W157 HydrophobicContact CB-CH2 4.19Å; L141-W157 HydrophobicContact CB-CZ2 4.37Å; L141-W157 HydrophobicContact CD2-CE3 4.38Å; L141-W157 HydrophobicContact CD2-CH2 3.36Å; L141-W157 HydrophobicContact CD2-CZ2 4.28Å; L141-W157 HydrophobicContact CD2-CZ3 3.42Å; L141-W157 VanDerWaalsContact CD2-CZ3 3.42Å; L141-W157 HydrophobicContact CG-CH2 3.57Å; L141-W157 HydrophobicContact CG-CZ2 4.19Å; L141-W157 HydrophobicContact CG-CZ3 4.17Å; C143-W157 HydrophobicContact CB-CH2 3.94Å; C143-W157 HydrophobicContact CB-CZ2 3.44Å; C143-W157 VanDerWaalsContact CB-CZ2 3.44Å; W157-E163 WeakPolarHBondContact O-CA 3.11Å; W157-E164 HydrophobicContact CB-CB 4.33Å; W157-E164 PolarHBondContact O-N 2.65Å; W157-V168 HydrophobicContact CB-CG2 4.22Å; W157-V168 HydrophobicContact CG-CG2 4.4Å; W157-V185 PolarHBondContact NE1-O 3.14Å; W157-V185 VanDerWaalsContact NE1-O 3.14Å; W157-L187 HydrophobicContact CB-CD2 4.28Å; W157-L187 HydrophobicContact CD2-CB 4Å; W157-L187 HydrophobicContact CD2-CD2 4.03Å; W157-L187 HydrophobicContact CE3-CD2 4.15Å; W157-L187 HydrophobicContact CG-CB 4.02Å; W157-L187 HydrophobicContact CG-CD2 4.11Å; W157-L187 HydrophobicContact CZ2-CB 4.36Å; W157-S198 CarbonylContact C-O 3.5Å; W157-C199 HydrophobicContact CE3-CB 4.18Å; W157-C199 HydrophobicContact CH2-CB 3.93Å; W157-C199 HydrophobicContact CZ2-CB 4.34Å; W157-C199 HydrophobicContact CZ3-CB 3.84Å
158	F	97.8	Very high	96.5	Very high	39 Å²	39	61.7 Å²	61.7	17%	0.171	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.4	172.5	-71.1	-103	0	0	0	109.7	R156 Q162 E163 Y197 S198 L200	R156-F158 HydrophobicContact CB-CE2 3.93Å; F158-Q162 CarbonylContact C-O 3.46Å; F158-Q162 WeakPolarHBondContact CA-O 3.26Å; F158-E163 HydrophobicContact CD1-CB 4.17Å; F158-E163 HydrophobicContact CE1-CB 3.84Å; F158-E163 HydrophobicContact CZ-CB 4.15Å; F158-E163 HydrophobicContact CZ-CG 4.36Å; F158-Y197 CarbonylContact O-C 3.59Å; F158-Y197 VanDerWaalsContact O-CA 3.28Å; F158-Y197 WeakPolarHBondContact O-CA 3.45Å; F158-S198 PolarHBondContact N-O 2.98Å; F158-S198 PolarHBondContact O-N 2.9Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.8Å; F158-L200 HydrophobicContact CE2-CD2 3.66Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å
159	R	95.8	Very high	96.4	Very high	69 Å²	69	67.7 Å²	67.7	26%	0.26	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	168	-177.4	-177.6	179.1	-177	2.3	108.4	G161 Q162 E192 D195 Y197	R159-G161 PolarHBondContact O-N 3.32Å; R159-Q162 PolarHBondContact N-O 2.99Å; R159-Q162 PolarHBondContact O-N 2.93Å; R159-E192 IonicContact NH2-OE1 2.7Å; R159-D195 IonicContact CZ-OD1 3.73Å; R159-D195 IonicContact CZ-OD2 3.32Å; R159-D195 VanDerWaalsContact CZ-OD2 3.32Å; R159-D195 IonicContact NE-OD1 3.22Å; R159-D195 PolarHBondContact NE-OD1 2.85Å; R159-D195 IonicContact NE-OD2 3.27Å; R159-D195 PolarHBondContact NE-OD2 2.99Å; R159-D195 IonicContact NH2-OD1 2.65Å; R159-D195 PolarHBondContact NH2-OD1 2.83Å; R159-D195 IonicContact NH2-OD2 3.92Å; R159-D195 PolarHBondContact NH2-OD2 3.48Å; R159-Y197 HydrophobicContact CB-CD1 4.14Å; R159-Y197 HydrophobicContact CB-CE1 4.05Å; R159-Y197 HydrophobicContact CG-CD1 4.18Å; R159-Y197 HydrophobicContact CG-CE1 3.75Å; R159-Y197 PolarHBondContact NE-OH 2.9Å
160	N	94.6	Very high	96.3	Very high	93 Å²	93	69.3 Å²	69.3	50%	0.497	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	35.6	179.5	-56.9	-33.6	0	0	0	113.3	D195 V196	N160-D195 PolarHBondContact ND2-OD1 3.1Å; N160-V196 PolarHBondContact N-O 2.58Å; N160-V196 PolarHBondContact OD1-N 2.93Å
161	G	93.1	Very high	96.1	Very high	65 Å²	65	71.6 Å²	71.6	67%	0.67	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-2.6	-179.7	0	0	0	0	0	115.9	R159	R159-G161 PolarHBondContact O-N 3.32Å
162	Q	96.4	Very high	96.1	Very high	156 Å²	156	72.5 Å²	72.5	73%	0.729	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.2	173.7	-64.8	-172.9	-16.4	0	0	110.6	F158 R159 E164	F158-Q162 CarbonylContact C-O 3.46Å; F158-Q162 WeakPolarHBondContact CA-O 3.26Å; R159-Q162 PolarHBondContact N-O 2.99Å; R159-Q162 PolarHBondContact O-N 2.93Å; Q162-E164 PolarHBondContact O-N 3.27Å
163	E	97.4	Very high	96.1	Very high	72 Å²	72	70.8 Å²	70.8	34%	0.336	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.5	179.5	-173.4	-180	-155.5	0	0	110.1	R156 W157 F158 R165	R156-E163 VanDerWaalsContact CD-OE1 3.26Å; R156-E163 WeakPolarHBondContact CD-OE1 3.45Å; R156-E163 IonicContact NH1-OE1 3.71Å; W157-E163 WeakPolarHBondContact O-CA 3.11Å; F158-E163 HydrophobicContact CD1-CB 4.17Å; F158-E163 HydrophobicContact CE1-CB 3.84Å; F158-E163 HydrophobicContact CZ-CB 4.15Å; F158-E163 HydrophobicContact CZ-CG 4.36Å; E163-R165 HydrophobicContact CG-CG 4.36Å; E163-R165 IonicContact OE1-CZ 2.92Å; E163-R165 IonicContact OE1-NE 3.75Å; E163-R165 IonicContact OE1-NH2 3.66Å; E163-R165 PolarHBondContact OE1-NH2 3.13Å; E163-R165 IonicContact OE2-CZ 3.39Å; E163-R165 IonicContact OE2-NE 3.72Å; E163-R165 PolarHBondContact OE2-NE 3.33Å; E163-R165 IonicContact OE2-NH2 3.4Å; E163-R165 PolarHBondContact OE2-NH2 2.99Å
164	E	95.9	Very high	96.1	Very high	58 Å²	58	71.5 Å²	71.5	27%	0.271	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	177.8	-173.1	57.1	-94.9	0	0	109.6	W157 Q162 S166 L187	W157-E164 HydrophobicContact CB-CB 4.33Å; W157-E164 PolarHBondContact O-N 2.65Å; Q162-E164 PolarHBondContact O-N 3.27Å; E164-S166 WeakPolarHBondContact OE1-CB 3.38Å; E164-S166 PolarHBondContact OE1-N 3.4Å; E164-L187 HydrophobicContact CG-CD1 3.67Å; E164-L187 HydrophobicContact CG-CD2 4.46Å
165	R	95.7	Very high	96.1	Very high	178 Å²	178	77.9 Å²	77.9	67%	0.672	42%	0.415	S	S	*	.			trans	-126	-23.1	-179.2	-65.2	179.2	178	-97.8	-2.2	111.8	E163	E163-R165 HydrophobicContact CG-CG 4.36Å; E163-R165 IonicContact OE1-CZ 2.92Å; E163-R165 IonicContact OE1-NE 3.75Å; E163-R165 IonicContact OE1-NH2 3.66Å; E163-R165 PolarHBondContact OE1-NH2 3.13Å; E163-R165 IonicContact OE2-CZ 3.39Å; E163-R165 IonicContact OE2-NE 3.72Å; E163-R165 PolarHBondContact OE2-NE 3.33Å; E163-R165 IonicContact OE2-NH2 3.4Å; E163-R165 PolarHBondContact OE2-NH2 2.99Å
166	S	93.9	Very high	96	Very high	92 Å²	92	79 Å²	79	64%	0.643	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	135.9	177.1	-172.2	0	0	0	0	109.3	E164 V168	E164-S166 WeakPolarHBondContact OE1-CB 3.38Å; E164-S166 PolarHBondContact OE1-N 3.4Å; S166-V168 PolarHBondContact O-N 2.92Å
167	G	90.9	Very high	95.9	Very high	28 Å²	28	78.8 Å²	78.8	29%	0.289	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	9	-179.8	0	0	0	0	0	114.8	E188	G167-E188 PolarHBondContact O-N 3.02Å
168	V	96.5	Very high	95.8	Very high	52 Å²	52	83.2 Å²	83.2	32%	0.315	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.5	175.4	178.5	0	0	0	0	110.4	W157 S166 V185 M186 L187	W157-V168 HydrophobicContact CB-CG2 4.22Å; W157-V168 HydrophobicContact CG-CG2 4.4Å; S166-V168 PolarHBondContact O-N 2.92Å; V168-V185 HydrophobicContact CG1-CG1 3.57Å; V168-M186 CarbonylContact C-O 3.58Å; V168-M186 VanDerWaalsContact CA-O 3.3Å; V168-M186 WeakPolarHBondContact CA-O 3.33Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å
169	M	95.7	Very high	95.7	Very high	126 Å²	126	88.2 Å²	88.2	62%	0.621	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.1	177.1	-61.9	-175.8	71.9	0	0	110.1	V185 M186	M169-V185 CarbonylContact O-C 3.55Å; M169-V185 WeakPolarHBondContact O-CA 3.4Å; M169-M186 HydrophobicContact CB-CB 4.42Å; M169-M186 HydrophobicContact CB-CE 3.95Å; M169-M186 PolarHBondContact N-O 3.18Å; M169-M186 PolarHBondContact O-N 3.04Å
170	S	96.1	Very high	95.8	Very high	68 Å²	68	85.6 Å²	85.6	48%	0.476	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.8	175.4	176.1	0	0	0	0	110.2	G172 T183 T184	S170-G172 PolarHBondContact O-N 2.92Å; S170-G172 PolarHBondContact OG-N 2.63Å; S170-T183 PolarHBondContact OG-OG1 2.92Å; S170-T184 WeakPolarHBondContact CA-O 3.43Å
171	T	94.2	Very high	95.9	Very high	77 Å²	77	81.8 Å²	81.8	47%	0.472	45%	0.453	S	S	.	.			trans	-68.4	-9.6	167.5	58	0	0	0	0	112.9	T184 M186	T171-T184 PolarHBondContact N-O 2.84Å; T171-T184 PolarHBondContact OG1-N 3.46Å; T171-T184 PolarHBondContact OG1-O 2.83Å; T171-M186 HydrophobicContact CG2-CE 4.1Å
172	G	96	Very high	96.2	Very high	34 Å²	34	82 Å²	82	35%	0.351	44%	0.436	S	S	.	.			trans	75.3	-178.6	-163.6	0	0	0	0	0	111.8	S170 T183	S170-G172 PolarHBondContact O-N 2.92Å; S170-G172 PolarHBondContact OG-N 2.63Å; G172-T183 WeakPolarHBondContact O-CB 3.47Å; G172-T183 PolarHBondContact O-OG1 3.38Å
173	L	97.5	Very high	96.3	Very high	88 Å²	88	74.9 Å²	74.9	46%	0.461	40%	0.403	S	S	.	.			trans	-81.5	123.1	178.4	-171.2	72.8	0	0	0	110.1	F148 F181	F148-L173 HydrophobicContact CE2-CD1 3.88Å; F148-L173 HydrophobicContact CZ-CD1 3.61Å; L173-F181 HydrophobicContact CD1-CB 3.71Å; L173-F181 HydrophobicContact CD1-CD1 4.01Å; L173-F181 HydrophobicContact CD1-CG 4.06Å; L173-F181 HydrophobicContact CD2-CD1 3.64Å; L173-F181 HydrophobicContact CD2-CE1 3.83Å; L173-F181 HydrophobicContact CD2-CG 4.27Å; L173-F181 HydrophobicContact CG-CB 4.31Å; L173-F181 HydrophobicContact CG-CD1 3.67Å; L173-F181 HydrophobicContact CG-CE1 4.33Å; L173-F181 HydrophobicContact CG-CG 4.24Å
174	V	98	Very high	96.3	Very high	60 Å²	60	72.4 Å²	72.4	36%	0.364	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.6	176.2	-179.9	0	0	0	0	109	F181 Q182	V174-F181 VanDerWaalsContact O-CA 3.27Å; V174-F181 WeakPolarHBondContact O-CA 3.38Å; V174-Q182 HydrophobicContact CB-CG 3.73Å; V174-Q182 HydrophobicContact CG1-CG 4.12Å; V174-Q182 PolarHBondContact N-O 3.42Å; V174-Q182 PolarHBondContact O-N 3.4Å
175	R	97.4	Very high	96.4	Very high	177 Å²	177	70.1 Å²	70.1	67%	0.668	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	175	-177	-174.5	-65.4	-89.6	0.8	109.4	F181	R175-F181 HydrophobicContact CB-CD1 4.15Å; R175-F181 HydrophobicContact CB-CE1 3.99Å; R175-F181 HydrophobicContact CG-CD1 4.5Å; R175-F181 HydrophobicContact CG-CE1 4.08Å
176	N	97	Very high	96.4	Very high	55 Å²	55	63.6 Å²	63.6	29%	0.294	36%	0.361	S	S	.	.			trans	-78	-21.9	-176	-67.3	-21.2	0	0	0	113.6	D178 T180 Q182	N176-D178 WeakPolarHBondContact CB-OD1 3.04Å; N176-T180 PolarHBondContact N-O 2.94Å; N176-T180 VanDerWaalsContact N-O 3.15Å; N176-T180 PolarHBondContact ND2-OG1 3.26Å; N176-Q182 PolarHBondContact OD1-NE2 3.15Å
177	G	95.9	Very high	96.5	Very high	66 Å²	66	59.3 Å²	59.3	68%	0.68	33%	0.331	S	S	*	.	S	Bend	trans	91	-2.7	-177.8	0	0	0	0	0	114.3
178	D	96	Very high	96.6	Very high	95 Å²	95	64.4 Å²	64.4	51%	0.508	35%	0.347	S	S	.	.	S	Bend	trans	-112.5	22.6	179.8	66.8	-6.9	0	0	0	112.9	N176 T180	N176-D178 WeakPolarHBondContact CB-OD1 3.04Å; D178-T180 VanDerWaalsContact C-N 3.3Å; D178-T180 WeakPolarHBondContact OD1-CB 3Å; D178-T180 PolarHBondContact OD1-N 2.76Å; D178-T180 PolarHBondContact OD1-OG1 3.08Å
179	W	95.3	Very high	96.2	Very high	143 Å²	143	62.4 Å²	62.4	54%	0.542	34%	0.335	S	S	.	.	S	Bend	trans	67.6	22.5	-173.6	-60.8	72.5	0	0	0	115.2	T116 Y149	T116-W179 HydrophobicContact CG2-CH2 3.63Å; T116-W179 HydrophobicContact CG2-CZ3 3.56Å; Y149-W179 WeakPolarHBondContact CD2-O 3.4Å; Y149-W179 HydrophobicContact CE2-CE3 4.03Å
180	T	97.5	Very high	95.8	Very high	15 Å²	15	63 Å²	63	9%	0.092	34%	0.339	C	S	.	.			trans	-120.3	162.8	166.7	69.9	0	0	0	0	111.8	F148 N176 D178	F148-T180 CarbonylContact O-C 3.57Å; F148-T180 WeakPolarHBondContact O-CA 3.22Å; N176-T180 PolarHBondContact N-O 2.94Å; N176-T180 VanDerWaalsContact N-O 3.15Å; N176-T180 PolarHBondContact ND2-OG1 3.26Å; D178-T180 VanDerWaalsContact C-N 3.3Å; D178-T180 WeakPolarHBondContact OD1-CB 3Å; D178-T180 PolarHBondContact OD1-N 2.76Å; D178-T180 PolarHBondContact OD1-OG1 3.08Å
181	F	98.3	Very high	95.2	Very high	12 Å²	12	62 Å²	62	5%	0.053	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.7	174.5	-62.5	-86.6	0	0	0	110.7	D147 F148 Y149 L173 V174 R175	D147-F181 PolarHBondContact N-O 2.92Å; D147-F181 VanDerWaalsContact N-O 3.14Å; F148-F181 VanDerWaalsContact CD1-O 3.27Å; F148-F181 WeakPolarHBondContact CD1-O 3.1Å; F148-F181 HydrophobicContact CD2-CB 4.15Å; F148-F181 HydrophobicContact CE1-CB 4.25Å; F148-F181 WeakPolarHBondContact CE1-O 3.43Å; F148-F181 HydrophobicContact CE2-CB 3.74Å; F148-F181 HydrophobicContact CZ-CB 3.8Å; F148-F181 PolarHBondContact N-O 3.22Å; F148-F181 PolarHBondContact O-N 2.78Å; Y149-F181 HydrophobicContact CD2-CD2 4.05Å; Y149-F181 AromaticContact CD2-CE2 3.6Å; Y149-F181 HydrophobicContact CD2-CE2 3.6Å; Y149-F181 AromaticContact CE2-CE2 3.88Å; Y149-F181 HydrophobicContact CE2-CE2 3.88Å; L173-F181 HydrophobicContact CD1-CB 3.71Å; L173-F181 HydrophobicContact CD1-CD1 4.01Å; L173-F181 HydrophobicContact CD1-CG 4.06Å; L173-F181 HydrophobicContact CD2-CD1 3.64Å; L173-F181 HydrophobicContact CD2-CE1 3.83Å; L173-F181 HydrophobicContact CD2-CG 4.27Å; L173-F181 HydrophobicContact CG-CB 4.31Å; L173-F181 HydrophobicContact CG-CD1 3.67Å; L173-F181 HydrophobicContact CG-CE1 4.33Å; L173-F181 HydrophobicContact CG-CG 4.24Å; V174-F181 VanDerWaalsContact O-CA 3.27Å; V174-F181 WeakPolarHBondContact O-CA 3.38Å; R175-F181 HydrophobicContact CB-CD1 4.15Å; R175-F181 HydrophobicContact CB-CE1 3.99Å; R175-F181 HydrophobicContact CG-CD1 4.5Å; R175-F181 HydrophobicContact CG-CE1 4.08Å
182	Q	98.3	Very high	94.8	Very high	69 Å²	69	64.4 Å²	64.4	32%	0.322	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155	168.9	64.5	-179.4	-54.8	0	0	110.6	V145 T146 V174 N176	V145-Q182 CarbonylContact O-C 3.59Å; V145-Q182 VanDerWaalsContact O-CA 3.25Å; V145-Q182 WeakPolarHBondContact O-CA 3.32Å; T146-Q182 HydrophobicContact CG2-CB 4.08Å; V174-Q182 HydrophobicContact CB-CG 3.73Å; V174-Q182 HydrophobicContact CG1-CG 4.12Å; V174-Q182 PolarHBondContact N-O 3.42Å; V174-Q182 PolarHBondContact O-N 3.4Å; N176-Q182 PolarHBondContact OD1-NE2 3.15Å
183	T	98.4	Very high	94.3	Very high	7 Å²	7	69.5 Å²	69.5	4%	0.043	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.9	170.4	-168.3	0	0	0	0	109.7	V145 F148 I153 V155 S170 G172	V145-T183 HydrophobicContact CB-CG2 4.14Å; V145-T183 PolarHBondContact N-O 3.31Å; V145-T183 PolarHBondContact O-N 3.1Å; F148-T183 HydrophobicContact CE1-CG2 4.34Å; F148-T183 HydrophobicContact CZ-CG2 4.24Å; I153-T183 HydrophobicContact CG2-CG2 4.35Å; V155-T183 HydrophobicContact CG2-CG2 4.31Å; S170-T183 PolarHBondContact OG-OG1 2.92Å; G172-T183 WeakPolarHBondContact O-CB 3.47Å; G172-T183 PolarHBondContact O-OG1 3.38Å
184	T	98.2	Very high	93.8	Very high	21 Å²	21	68 Å²	68	13%	0.129	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.2	174.5	-56	0	0	0	0	108.9	L142 C143 S170 T171 M186	L142-T184 HydrophobicContact CB-CG2 4.18Å; L142-T184 HydrophobicContact CD2-CG2 4.16Å; L142-T184 HydrophobicContact CG-CG2 4.08Å; C143-T184 WeakPolarHBondContact O-CA 3.06Å; S170-T184 WeakPolarHBondContact CA-O 3.43Å; T171-T184 PolarHBondContact N-O 2.84Å; T171-T184 PolarHBondContact OG1-N 3.46Å; T171-T184 PolarHBondContact OG1-O 2.83Å; T184-M186 HydrophobicContact CG2-CG 4.28Å
185	V	98.1	Very high	93.5	Very high	10 Å²	10	65.7 Å²	65.7	6%	0.061	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.5	174.3	-173.5	0	0	0	0	109	C143 V155 W157 V168 M169	C143-V185 PolarHBondContact N-O 3.39Å; C143-V185 PolarHBondContact O-N 3.25Å; V155-V185 HydrophobicContact CB-CG2 3.75Å; V155-V185 HydrophobicContact CG1-CB 3.84Å; V155-V185 HydrophobicContact CG1-CG1 4.45Å; V155-V185 HydrophobicContact CG1-CG2 3.54Å; V155-V185 HydrophobicContact CG2-CG2 4.4Å; W157-V185 PolarHBondContact NE1-O 3.14Å; W157-V185 VanDerWaalsContact NE1-O 3.14Å; V168-V185 HydrophobicContact CG1-CG1 3.57Å; M169-V185 CarbonylContact O-C 3.55Å; M169-V185 WeakPolarHBondContact O-CA 3.4Å
186	M	96.1	Very high	93.3	Very high	40 Å²	40	59.6 Å²	59.6	20%	0.197	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.4	-178.9	-63.3	160.8	-73.3	0	0	110.3	L140 L141 L142 V168 M169 T171 T184	L140-M186 HydrophobicContact CD1-CB 4.1Å; L140-M186 HydrophobicContact CD2-CG 4.46Å; L140-M186 HydrophobicContact CD2-SD 4.48Å; L140-M186 HydrophobicContact CG-CB 4.42Å; L141-M186 CarbonylContact O-C 3.52Å; L141-M186 VanDerWaalsContact O-CA 3.29Å; L141-M186 WeakPolarHBondContact O-CA 3.47Å; L142-M186 HydrophobicContact CD1-CG 4.3Å; L142-M186 HydrophobicContact CG-CG 4Å; V168-M186 CarbonylContact C-O 3.58Å; V168-M186 VanDerWaalsContact CA-O 3.3Å; V168-M186 WeakPolarHBondContact CA-O 3.33Å; M169-M186 HydrophobicContact CB-CB 4.42Å; M169-M186 HydrophobicContact CB-CE 3.95Å; M169-M186 PolarHBondContact N-O 3.18Å; M169-M186 PolarHBondContact O-N 3.04Å; T171-M186 HydrophobicContact CG2-CE 4.1Å; T184-M186 HydrophobicContact CG2-CG 4.28Å
187	L	95.8	Very high	93.3	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.1	171.3	172.4	65.5	0	0	0	109.2	L140 L141 W157 E164 V168 M189 Y197	L140-L187 WeakPolarHBondContact CA-O 3.33Å; L141-L187 HydrophobicContact CB-CB 4.49Å; L141-L187 PolarHBondContact N-O 3.02Å; L141-L187 PolarHBondContact O-N 2.71Å; W157-L187 HydrophobicContact CB-CD2 4.28Å; W157-L187 HydrophobicContact CD2-CB 4Å; W157-L187 HydrophobicContact CD2-CD2 4.03Å; W157-L187 HydrophobicContact CE3-CD2 4.15Å; W157-L187 HydrophobicContact CG-CB 4.02Å; W157-L187 HydrophobicContact CG-CD2 4.11Å; W157-L187 HydrophobicContact CZ2-CB 4.36Å; E164-L187 HydrophobicContact CG-CD1 3.67Å; E164-L187 HydrophobicContact CG-CD2 4.46Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å; L187-M189 HydrophobicContact CG-CB 4.47Å; L187-Y197 HydrophobicContact CD2-CD1 3.58Å; L187-Y197 HydrophobicContact CD2-CE1 3.95Å
188	E	92.6	Very high	93.3	Very high	136 Å²	136	55 Å²	55	64%	0.636	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.8	166	-171.6	176.5	-173.7	0	0	109.4	N139 L140 G167	N139-E188 CarbonylContact O-C 3.59Å; N139-E188 WeakPolarHBondContact O-CA 3.31Å; L140-E188 HydrophobicContact CD1-CB 4.45Å; G167-E188 PolarHBondContact O-N 3.02Å
189	M	87.8	Confident	93.4	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.049	27%	0.266	C	S	.	.			trans	-143.9	158.3	-174.9	62.1	165.8	-174.4	0	0	112.1	H138 N139 L141 L187 P191 Y197 W214	H138-M189 WeakPolarHBondContact O-CE 3.5Å; N139-M189 CarbonylContact C-O 3.48Å; N139-M189 WeakPolarHBondContact CA-O 3.47Å; N139-M189 WeakPolarHBondContact CB-O 3.45Å; N139-M189 PolarHBondContact O-N 3.29Å; L141-M189 HydrophobicContact CB-CE 3.84Å; L141-M189 HydrophobicContact CB-SD 4.1Å; L141-M189 HydrophobicContact CD1-CE 4.03Å; L141-M189 HydrophobicContact CD2-CE 4.5Å; L141-M189 HydrophobicContact CD2-SD 4.36Å; L141-M189 HydrophobicContact CG-CE 4.34Å; L187-M189 HydrophobicContact CG-CB 4.47Å; M189-P191 HydrophobicContact CE-CB 4.41Å; M189-P191 HydrophobicContact CE-CG 4.41Å; M189-P191 HydrophobicContact SD-CB 4.3Å; M189-Y197 HydrophobicContact CB-CE1 3.99Å; M189-Y197 HydrophobicContact SD-CD1 4.19Å; M189-Y197 HydrophobicContact SD-CD2 3.92Å; M189-Y197 HydrophobicContact SD-CE1 3.93Å; M189-Y197 HydrophobicContact SD-CE2 3.65Å; M189-Y197 HydrophobicContact SD-CG 4.17Å; M189-W214 HydrophobicContact CE-CE3 4.15Å; M189-W214 HydrophobicContact CE-CH2 3.64Å; M189-W214 HydrophobicContact CE-CZ2 4.39Å; M189-W214 HydrophobicContact CE-CZ3 3.5Å; M189-W214 VanDerWaalsContact CE-CZ3 3.5Å; M189-W214 HydrophobicContact SD-CE3 4.47Å; M189-W214 HydrophobicContact SD-CZ3 3.9Å
190	I	86.6	Confident	93.6	Very high	138 Å²	138	45.1 Å²	45.1	71%	0.708	25%	0.248	S	C	*	.			trans	-118.9	96.1	166.4	-58.7	172.3	0	0	0	105.4	E192	I190-E192 PolarHBondContact O-N 3.39Å
191	P	84.3	Confident	93.6	Very high	47 Å²	47	44.4 Å²	44.4	31%	0.305	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-71.6	125.6	-169.2	26.7	-33.2	0	0	0	111.5	M189 Y197 W214 A216	M189-P191 HydrophobicContact CE-CB 4.41Å; M189-P191 HydrophobicContact CE-CG 4.41Å; M189-P191 HydrophobicContact SD-CB 4.3Å; P191-Y197 HydrophobicContact CB-CE2 4.49Å; P191-W214 HydrophobicContact CB-CH2 4.12Å; P191-W214 HydrophobicContact CB-CZ3 4.19Å; P191-A216 HydrophobicContact CB-CB 3.73Å
192	E	85.6	Confident	93.7	Very high	128 Å²	128	47.2 Å²	47.2	60%	0.598	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-95.7	147.4	169.9	-64.3	-179.4	-160.9	0	0	110.4	R159 I190 G194 D195 A216	R159-E192 IonicContact NH2-OE1 2.7Å; I190-E192 PolarHBondContact O-N 3.39Å; E192-G194 PolarHBondContact O-N 3.46Å; E192-G194 VanDerWaalsContact O-N 3.14Å; E192-D195 WeakPolarHBondContact CB-OD2 3.32Å; E192-D195 PolarHBondContact N-OD2 2.75Å; E192-D195 VanDerWaalsContact O-CB 3.31Å; E192-D195 WeakPolarHBondContact O-CB 3.41Å; E192-D195 PolarHBondContact O-N 3.3Å; E192-A216 WeakPolarHBondContact O-CB 3.38Å
193	L	86.1	Confident	93.7	Very high	141 Å²	141	44.5 Å²	44.5	74%	0.738	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	122.3	-178.9	-176.4	70.7	0	0	0	110.5
194	G	86.3	Confident	93.6	Very high	57 Å²	57	48.1 Å²	48.1	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-4.7	-178.6	0	0	0	0	0	114.8	E192 A216	E192-G194 PolarHBondContact O-N 3.46Å; E192-G194 VanDerWaalsContact O-N 3.14Å; G194-A216 PolarHBondContact N-O 2.87Å
195	D	91.7	Very high	93.5	Very high	10 Å²	10	48 Å²	48	5%	0.053	27%	0.271	C	S	.	.			trans	-59.5	138.3	167.7	-84.4	-33.6	0	0	0	111	R159 N160 E192 Y197 M215 A216	R159-D195 IonicContact CZ-OD1 3.73Å; R159-D195 IonicContact CZ-OD2 3.32Å; R159-D195 VanDerWaalsContact CZ-OD2 3.32Å; R159-D195 IonicContact NE-OD1 3.22Å; R159-D195 PolarHBondContact NE-OD1 2.85Å; R159-D195 IonicContact NE-OD2 3.27Å; R159-D195 PolarHBondContact NE-OD2 2.99Å; R159-D195 IonicContact NH2-OD1 2.65Å; R159-D195 PolarHBondContact NH2-OD1 2.83Å; R159-D195 IonicContact NH2-OD2 3.92Å; R159-D195 PolarHBondContact NH2-OD2 3.48Å; N160-D195 PolarHBondContact ND2-OD1 3.1Å; E192-D195 WeakPolarHBondContact CB-OD2 3.32Å; E192-D195 PolarHBondContact N-OD2 2.75Å; E192-D195 VanDerWaalsContact O-CB 3.31Å; E192-D195 WeakPolarHBondContact O-CB 3.41Å; E192-D195 PolarHBondContact O-N 3.3Å; D195-Y197 HydrophobicContact CB-CD2 4.16Å; D195-Y197 HydrophobicContact CB-CE2 3.48Å; D195-Y197 VanDerWaalsContact CB-CE2 3.48Å; D195-Y197 PolarHBondContact OD2-OH 3.13Å; D195-M215 WeakPolarHBondContact O-CA 3.17Å; D195-A216 HydrophobicContact CB-CB 3.99Å; D195-A216 PolarHBondContact O-N 2.03Å
196	V	94.3	Very high	93.4	Very high	50 Å²	50	48.9 Å²	48.9	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.7	172.6	-171.4	0	0	0	0	108.9	N160 A213 M215	N160-V196 PolarHBondContact N-O 2.58Å; N160-V196 PolarHBondContact OD1-N 2.93Å; V196-A213 HydrophobicContact CG1-CB 4.18Å; V196-M215 HydrophobicContact CG1-CG 4.3Å; V196-M215 HydrophobicContact CG2-CG 4.11Å
197	Y	95.6	Very high	93.5	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142	172.4	-63.5	-92.7	0	0	0	108.9	L141 F158 R159 L187 M189 P191 D195 A213 W214	L141-Y197 VanDerWaalsContact CD2-CB 3.49Å; L141-Y197 HydrophobicContact CD2-CG 4.03Å; F158-Y197 CarbonylContact O-C 3.59Å; F158-Y197 VanDerWaalsContact O-CA 3.28Å; F158-Y197 WeakPolarHBondContact O-CA 3.45Å; R159-Y197 HydrophobicContact CB-CD1 4.14Å; R159-Y197 HydrophobicContact CB-CE1 4.05Å; R159-Y197 HydrophobicContact CG-CD1 4.18Å; R159-Y197 HydrophobicContact CG-CE1 3.75Å; R159-Y197 PolarHBondContact NE-OH 2.9Å; L187-Y197 HydrophobicContact CD2-CD1 3.58Å; L187-Y197 HydrophobicContact CD2-CE1 3.95Å; M189-Y197 HydrophobicContact CB-CE1 3.99Å; M189-Y197 HydrophobicContact SD-CD1 4.19Å; M189-Y197 HydrophobicContact SD-CD2 3.92Å; M189-Y197 HydrophobicContact SD-CE1 3.93Å; M189-Y197 HydrophobicContact SD-CE2 3.65Å; M189-Y197 HydrophobicContact SD-CG 4.17Å; P191-Y197 HydrophobicContact CB-CE2 4.49Å; D195-Y197 HydrophobicContact CB-CD2 4.16Å; D195-Y197 HydrophobicContact CB-CE2 3.48Å; D195-Y197 VanDerWaalsContact CB-CE2 3.48Å; D195-Y197 PolarHBondContact OD2-OH 3.13Å; Y197-A213 CarbonylContact O-C 3.57Å; Y197-A213 VanDerWaalsContact O-CA 3.28Å; Y197-A213 WeakPolarHBondContact O-CA 3.26Å; Y197-W214 AromaticContact CD2-CE3 3.7Å; Y197-W214 HydrophobicContact CD2-CE3 3.7Å; Y197-W214 AromaticContact CD2-CZ3 3.77Å; Y197-W214 HydrophobicContact CD2-CZ3 3.77Å; Y197-W214 HydrophobicContact CE2-CE3 4.48Å; Y197-W214 HydrophobicContact CE2-CZ3 4.09Å; Y197-W214 HydrophobicContact CG-CE3 4.39Å; Y197-W214 PolarHBondContact N-O 3.32Å; Y197-W214 PolarHBondContact O-N 3.05Å
198	S	97.4	Very high	93.5	Very high	21 Å²	21	62.7 Å²	62.7	15%	0.147	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.7	-179.6	-64.5	0	0	0	0	110.9	W157 F158 V212	W157-S198 CarbonylContact C-O 3.5Å; F158-S198 PolarHBondContact N-O 2.98Å; F158-S198 PolarHBondContact O-N 2.9Å; S198-V212 WeakPolarHBondContact CA-O 3.35Å
199	C	98.2	Very high	93.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.1	170.5	-178	0	0	0	0	109	V127 C143 V155 W157 S211 V212	V127-C199 HydrophobicContact CG2-CB 3.63Å; C143-C199 HydrophobicContact CB-CB 3.58Å; C143-C199 WeakPolarHBondContact CB-SG 2.98Å; C143-C199 WeakPolarHBondContact SG-CB 3.42Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.9Å; V155-C199 VanDerWaalsContact CG1-SG 3.54Å; W157-C199 HydrophobicContact CE3-CB 4.18Å; W157-C199 HydrophobicContact CH2-CB 3.93Å; W157-C199 HydrophobicContact CZ2-CB 4.34Å; W157-C199 HydrophobicContact CZ3-CB 3.84Å; C199-S211 WeakPolarHBondContact O-CA 3.33Å; C199-V212 PolarHBondContact N-O 3.35Å; C199-V212 PolarHBondContact O-N 3.19Å
200	L	98.5	Very high	94.3	Very high	29 Å²	29	61.6 Å²	61.6	15%	0.152	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123	177.1	-175.8	71.4	0	0	0	109.6	V155 R156 F158 P209 V210	V155-L200 WeakPolarHBondContact CA-O 3.48Å; R156-L200 PolarHBondContact N-O 2.79Å; R156-L200 VanDerWaalsContact NH2-CD2 3.28Å; R156-L200 PolarHBondContact O-N 3.07Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.8Å; F158-L200 HydrophobicContact CE2-CD2 3.66Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å; L200-P209 HydrophobicContact CD1-CB 3.75Å; L200-P209 HydrophobicContact CG-CB 4.4Å; L200-V210 CarbonylContact C-O 3.52Å; L200-V210 WeakPolarHBondContact CA-O 3.41Å
201	V	98.6	Very high	94.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	-178.4	-178.3	0	0	0	0	110	P123 V125 V145 I153 S154 V155 L206 P209 V210	P123-V201 HydrophobicContact CG-CG1 4.01Å; V125-V201 HydrophobicContact CB-CG2 4.5Å; V125-V201 HydrophobicContact CG1-CG2 3.85Å; V125-V201 HydrophobicContact CG2-CB 4.06Å; V125-V201 HydrophobicContact CG2-CG1 4.24Å; V125-V201 HydrophobicContact CG2-CG2 3.77Å; V145-V201 HydrophobicContact CG1-CG1 4.15Å; V145-V201 HydrophobicContact CG2-CG2 3.93Å; I153-V201 HydrophobicContact CD1-CG1 3.85Å; I153-V201 HydrophobicContact CG1-CG1 4.11Å; S154-V201 WeakPolarHBondContact O-CA 3.38Å; V155-V201 HydrophobicContact CG1-CG2 4.27Å; V155-V201 HydrophobicContact CG2-CG1 4.45Å; V155-V201 HydrophobicContact CG2-CG2 4.3Å; V201-L206 HydrophobicContact CG1-CD1 4.4Å; V201-P209 CarbonylContact O-C 3.54Å; V201-P209 WeakPolarHBondContact O-CA 3.42Å; V201-V210 PolarHBondContact N-O 3.27Å; V201-V210 PolarHBondContact O-N 2.7Å
202	E	98.6	Very high	95.4	Very high	71 Å²	71	58.1 Å²	58.1	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126	174.1	-66.2	174.2	-165.8	0	0	108.8	I153 S154 R156 P209	I153-E202 WeakPolarHBondContact CG1-O 3.19Å; S154-E202 PolarHBondContact N-O 3.12Å; S154-E202 PolarHBondContact O-N 3.23Å; R156-E202 IonicContact CZ-OE1 3.75Å; R156-E202 IonicContact NE-OE1 3.69Å; R156-E202 IonicContact NH2-OE1 3.07Å; R156-E202 PolarHBondContact NH2-OE1 2.83Å; E202-P209 HydrophobicContact CG-CB 3.83Å; E202-P209 HydrophobicContact CG-CG 3.88Å
203	H	98.5	Very high	95.9	Very high	13 Å²	13	55 Å²	55	6%	0.06	33%	0.33	C	S	.	.			trans	-151.5	142.7	-176.8	-178.9	-96.3	0	0	0	109.9	V121 P123 F148 Y149 P150 D152 I153 G205 L206	V121-H203 PolarHBondContact O-CE1 3.31Å; V121-H203 VanDerWaalsContact O-CE1 3.22Å; P123-H203 HydrophobicContact CG-CB 4.18Å; F148-H203 AromaticContact CD2-CD2 3.81Å; F148-H203 AromaticContact CD2-NE2 3.65Å; Y149-H203 PolarHBondContact O-CE1 2.91Å; P150-H203 PolarHBondContact O-NE2 3.29Å; D152-H203 PolarHBondContact O-CD2 2.79Å; D152-H203 VanDerWaalsContact O-CD2 3.22Å; I153-H203 HydrophobicContact CD1-CB 4.39Å; I153-H203 HydrophobicContact CG1-CB 4.22Å; H203-G205 PolarHBondContact CE1-N 2.91Å; H203-G205 WeakPolarHBondContact ND1-CA 3.3Å; H203-G205 PolarHBondContact ND1-N 3.02Å; H203-G205 PolarHBondContact O-N 3.46Å; H203-G205 VanDerWaalsContact O-N 3.15Å; H203-L206 HydrophobicContact CB-CD1 4.04Å; H203-L206 HydrophobicContact CB-CG 4.21Å; H203-L206 WeakPolarHBondContact O-CB 3.38Å; H203-L206 PolarHBondContact O-N 3.27Å
204	P	97.1	Very high	96.3	Very high	82 Å²	82	50.8 Å²	50.8	53%	0.532	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.9	179.9	-27.5	36.1	0	0	0	115.2	P150 D152 L206	P150-P204 HydrophobicContact CG-CG 4.43Å; D152-P204 WeakPolarHBondContact O-CD 3.42Å; P204-L206 VanDerWaalsContact C-N 3.27Å; P204-L206 PolarHBondContact O-N 3.3Å
205	G	95.4	Very high	96.5	Very high	20 Å²	20	53 Å²	53	21%	0.206	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.6	175.1	0	0	0	0	0	114.5	H203	H203-G205 PolarHBondContact CE1-N 2.91Å; H203-G205 WeakPolarHBondContact ND1-CA 3.3Å; H203-G205 PolarHBondContact ND1-N 3.02Å; H203-G205 PolarHBondContact O-N 3.46Å; H203-G205 VanDerWaalsContact O-N 3.15Å
206	L	97.4	Very high	96.1	Very high	28 Å²	28	52.9 Å²	52.9	15%	0.147	30%	0.301	C	S	.	.	S	Bend	trans	-99.4	132.8	176.4	-63.5	171.7	0	0	0	110.8	P122 P123 V201 H203 P204 R208 V210	P122-L206 HydrophobicContact CB-CD2 3.76Å; P122-L206 HydrophobicContact CB-CG 4.48Å; P123-L206 HydrophobicContact CG-CD1 3.84Å; P123-L206 HydrophobicContact CG-CD2 4.46Å; P123-L206 HydrophobicContact CG-CG 4.21Å; V201-L206 HydrophobicContact CG1-CD1 4.4Å; H203-L206 HydrophobicContact CB-CD1 4.04Å; H203-L206 HydrophobicContact CB-CG 4.21Å; H203-L206 WeakPolarHBondContact O-CB 3.38Å; H203-L206 PolarHBondContact O-N 3.27Å; P204-L206 VanDerWaalsContact C-N 3.27Å; P204-L206 PolarHBondContact O-N 3.3Å; L206-R208 WeakPolarHBondContact CB-O 3.45Å; L206-R208 PolarHBondContact O-N 3.36Å; L206-V210 HydrophobicContact CD1-CB 4.17Å; L206-V210 HydrophobicContact CD1-CG2 3.81Å; L206-V210 HydrophobicContact CD2-CG2 3.88Å; L206-V210 HydrophobicContact CG-CG2 4.41Å
207	P	96.6	Very high	95.1	Very high	134 Å²	134	57.4 Å²	57.4	87%	0.87	32%	0.319	S	S	*	.	S	Bend	trans	-68.6	-22.8	176.3	28	-34.6	0	0	0	112.8
208	R	97.3	Very high	93.2	Very high	197 Å²	197	60.4 Å²	60.4	74%	0.743	34%	0.341	S	S	*	.	S	Bend	trans	-151.9	156.9	176.8	57.5	177.3	171.4	157.3	-1.4	109.3	L206 V210	L206-R208 WeakPolarHBondContact CB-O 3.45Å; L206-R208 PolarHBondContact O-N 3.36Å; R208-V210 PolarHBondContact O-N 3Å
209	P	97.8	Very high	91.1	Very high	71 Å²	71	66.9 Å²	66.9	46%	0.461	37%	0.368	S	S	.	.			trans	-56.1	139.9	176.3	-21.8	32.2	0	0	0	111.6	L200 V201 E202	L200-P209 HydrophobicContact CD1-CB 3.75Å; L200-P209 HydrophobicContact CG-CB 4.4Å; V201-P209 CarbonylContact O-C 3.54Å; V201-P209 WeakPolarHBondContact O-CA 3.42Å; E202-P209 HydrophobicContact CG-CB 3.83Å; E202-P209 HydrophobicContact CG-CG 3.88Å
210	V	98	Very high	89.1	Confident	52 Å²	52	75.4 Å²	75.4	32%	0.315	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.6	176.2	169.1	0	0	0	0	108.6	V125 L200 V201 L206 R208 V212	V125-V210 HydrophobicContact CG2-CG1 4.34Å; L200-V210 CarbonylContact C-O 3.52Å; L200-V210 WeakPolarHBondContact CA-O 3.41Å; V201-V210 PolarHBondContact N-O 3.27Å; V201-V210 PolarHBondContact O-N 2.7Å; L206-V210 HydrophobicContact CD1-CB 4.17Å; L206-V210 HydrophobicContact CD1-CG2 3.81Å; L206-V210 HydrophobicContact CD2-CG2 3.88Å; L206-V210 HydrophobicContact CG-CG2 4.41Å; R208-V210 PolarHBondContact O-N 3Å; V210-V212 HydrophobicContact CG1-CG2 4.13Å
211	S	97.3	Very high	86.8	Confident	71 Å²	71	76.2 Å²	76.2	50%	0.497	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.2	176.7	-175.6	0	0	0	0	109.7	C199	C199-S211 WeakPolarHBondContact O-CA 3.33Å
212	V	97.7	Very high	85	Confident	41 Å²	41	85.1 Å²	85.1	25%	0.248	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.4	175.8	-178.1	0	0	0	0	108.7	V125 V127 S198 C199 V210	V125-V212 HydrophobicContact CB-CG2 3.9Å; V125-V212 HydrophobicContact CG1-CB 4.2Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å; V127-V212 HydrophobicContact CB-CG1 3.93Å; V127-V212 HydrophobicContact CG2-CB 3.81Å; V127-V212 HydrophobicContact CG2-CG1 3.72Å; S198-V212 WeakPolarHBondContact CA-O 3.35Å; C199-V212 PolarHBondContact N-O 3.35Å; C199-V212 PolarHBondContact O-N 3.19Å; V210-V212 HydrophobicContact CG1-CG2 4.13Å
213	A	95.8	Very high	83.2	Confident	63 Å²	63	89.3 Å²	89.3	52%	0.521	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142.4	-176.2	0	0	0	0	0	111.9	V196 Y197	V196-A213 HydrophobicContact CG1-CB 4.18Å; Y197-A213 CarbonylContact O-C 3.57Å; Y197-A213 VanDerWaalsContact O-CA 3.28Å; Y197-A213 WeakPolarHBondContact O-CA 3.26Å
214	W	93.8	Very high	81.5	Confident	52 Å²	52	96.5 Å²	96.5	20%	0.197	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132	167.4	179.5	90.5	0	0	0	109	V127 P129 L141 M189 P191 Y197 A216	V127-W214 HydrophobicContact CG1-CB 3.68Å; V127-W214 HydrophobicContact CG1-CG 4.42Å; P129-W214 HydrophobicContact CB-CZ2 4.22Å; P129-W214 HydrophobicContact CG-CZ2 4.32Å; L141-W214 HydrophobicContact CD1-CB 4.17Å; L141-W214 HydrophobicContact CD1-CD2 3.67Å; L141-W214 HydrophobicContact CD1-CE3 4Å; L141-W214 HydrophobicContact CD1-CG 3.73Å; L141-W214 HydrophobicContact CD2-CB 4.14Å; L141-W214 HydrophobicContact CD2-CD2 4.36Å; L141-W214 HydrophobicContact CD2-CE3 4.08Å; L141-W214 HydrophobicContact CD2-CG 4.41Å; M189-W214 HydrophobicContact CE-CE3 4.15Å; M189-W214 HydrophobicContact CE-CH2 3.64Å; M189-W214 HydrophobicContact CE-CZ2 4.39Å; M189-W214 HydrophobicContact CE-CZ3 3.5Å; M189-W214 VanDerWaalsContact CE-CZ3 3.5Å; M189-W214 HydrophobicContact SD-CE3 4.47Å; M189-W214 HydrophobicContact SD-CZ3 3.9Å; P191-W214 HydrophobicContact CB-CH2 4.12Å; P191-W214 HydrophobicContact CB-CZ3 4.19Å; Y197-W214 AromaticContact CD2-CE3 3.7Å; Y197-W214 HydrophobicContact CD2-CE3 3.7Å; Y197-W214 AromaticContact CD2-CZ3 3.77Å; Y197-W214 HydrophobicContact CD2-CZ3 3.77Å; Y197-W214 HydrophobicContact CE2-CE3 4.48Å; Y197-W214 HydrophobicContact CE2-CZ3 4.09Å; Y197-W214 HydrophobicContact CG-CE3 4.39Å; Y197-W214 PolarHBondContact N-O 3.32Å; Y197-W214 PolarHBondContact O-N 3.05Å; W214-A216 HydrophobicContact CH2-CB 4.07Å; W214-A216 HydrophobicContact CZ3-CB 3.86Å
215	M	90.4	Very high	80.1	Confident	103 Å²	103	96 Å²	96	51%	0.507	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.6	179.5	-66.9	-177.7	-76.8	0	0	109.6	D195 V196 Q217	D195-M215 WeakPolarHBondContact O-CA 3.17Å; V196-M215 HydrophobicContact CG1-CG 4.3Å; V196-M215 HydrophobicContact CG2-CG 4.11Å; M215-Q217 VanDerWaalsContact C-N 3.25Å; M215-Q217 HydrophobicContact CB-CG 4.2Å; M215-Q217 PolarHBondContact O-N 2.93Å
216	A	84.9	Confident	79.1	Confident	8 Å²	8	99.8 Å²	99.8	7%	0.066	50%	0.501	C	S	.	.			trans	-68	87.6	168.7	0	0	0	0	0	109.3	P191 E192 G194 D195 W214	P191-A216 HydrophobicContact CB-CB 3.73Å; E192-A216 WeakPolarHBondContact O-CB 3.38Å; G194-A216 PolarHBondContact N-O 2.87Å; D195-A216 HydrophobicContact CB-CB 3.99Å; D195-A216 PolarHBondContact O-N 2.03Å; W214-A216 HydrophobicContact CH2-CB 4.07Å; W214-A216 HydrophobicContact CZ3-CB 3.86Å
217	Q	73	Confident	78.2	Confident	145 Å²	145	102.4 Å²	102.4	68%	0.678	52%	0.522	S	S	*	.			trans	-90.9	137.9	172.9	-64.5	-177.5	-3.3	0	0	108.8	M215 E219	M215-Q217 VanDerWaalsContact C-N 3.25Å; M215-Q217 HydrophobicContact CB-CG 4.2Å; M215-Q217 PolarHBondContact O-N 2.93Å; Q217-E219 PolarHBondContact O-N 3.1Å
218	S	54.9	Low	77.5	Confident	68 Å²	68	97.9 Å²	97.9	48%	0.476	50%	0.5	S	S	.	.			trans	-60.7	137.6	160.2	58.9	0	0	0	0	108.2	Y220	S218-Y220 PolarHBondContact O-N 2.9Å; S218-Y220 WeakPolarHBondContact OG-CB 3.05Å
219	E	53.8	Low	77	Confident	156 Å²	156	90.7 Å²	90.7	73%	0.729	48%	0.483	S	S	*	.	S	Bend	trans	-62.5	24.7	164.4	-71	-167.6	173.8	0	0	112.8	H138 Q217 S221	H138-E219 IonicContact CE1-OE1 3.35Å; Q217-E219 PolarHBondContact O-N 3.1Å; E219-S221 PolarHBondContact O-N 3.13Å
220	Y	55.4	Low	76.3	Confident	180 Å²	180	90.8 Å²	90.8	71%	0.706	48%	0.482	S	S	*	.			trans	-77.2	78.9	172.3	-132.6	-106.6	0	0	0	108.6	S218 W222 I225	S218-Y220 PolarHBondContact O-N 2.9Å; S218-Y220 WeakPolarHBondContact OG-CB 3.05Å; Y220-W222 PolarHBondContact O-N 2.84Å; Y220-I225 HydrophobicContact CD1-CD1 3.46Å; Y220-I225 VanDerWaalsContact CD1-CD1 3.46Å; Y220-I225 HydrophobicContact CD1-CG1 4.32Å; Y220-I225 HydrophobicContact CE1-CD1 3.33Å; Y220-I225 HydrophobicContact CE1-CG1 3.96Å
221	S	51.4	Low	75.9	Confident	45 Å²	45	91.3 Å²	91.3	32%	0.315	49%	0.492	S	S	.	.			trans	-60.3	107.2	175.4	174.9	0	0	0	0	109.7	E219 E223 K224 I225	E219-S221 PolarHBondContact O-N 3.13Å; S221-E223 PolarHBondContact O-N 2.8Å; S221-E223 VanDerWaalsContact O-N 3.13Å; S221-E223 WeakPolarHBondContact OG-CB 3.3Å; S221-E223 PolarHBondContact OG-N 2.9Å; S221-K224 PolarHBondContact O-N 2.82Å; S221-K224 PolarHBondContact OG-N 2.93Å; S221-I225 PolarHBondContact O-N 2.75Å
222	W	60.6	Low	75.6	Confident	188 Å²	188	94.7 Å²	94.7	71%	0.712	50%	0.498	S	S	*	.	H	α-helix	trans	-51.3	-30.4	168.3	-179.1	-95.6	0	0	0	111.6	Y220 K224 I225 L226	Y220-W222 PolarHBondContact O-N 2.84Å; W222-K224 PolarHBondContact O-N 2.77Å; W222-I225 PolarHBondContact O-N 2.86Å; W222-L226 WeakPolarHBondContact O-CB 3.35Å; W222-L226 PolarHBondContact O-N 2.85Å
223	E	60	Low	75.4	Confident	159 Å²	159	98 Å²	98	74%	0.743	51%	0.514	S	S	*	.	H	α-helix	trans	-64.8	-36.5	175.6	-59.4	-140.6	149.2	0	0	113.4	S221 S227	S221-E223 PolarHBondContact O-N 2.8Å; S221-E223 VanDerWaalsContact O-N 3.13Å; S221-E223 WeakPolarHBondContact OG-CB 3.3Å; S221-E223 PolarHBondContact OG-N 2.9Å; E223-S227 VanDerWaalsContact O-CB 3.32Å; E223-S227 WeakPolarHBondContact O-CB 3.25Å; E223-S227 PolarHBondContact O-N 2.95Å
224	K	64	Low	75.3	Confident	164 Å²	164	100.3 Å²	100.3	71%	0.713	52%	0.517	S	S	*	.	H	α-helix	trans	-71.3	-36.3	176	-70.2	-178	179.9	172.9	0	111.9	S221 W222 G228	S221-K224 PolarHBondContact O-N 2.82Å; S221-K224 PolarHBondContact OG-N 2.93Å; W222-K224 PolarHBondContact O-N 2.77Å; K224-G228 PolarHBondContact O-N 2.86Å
225	I	66.7	Low	75.3	Confident	71 Å²	71	99.8 Å²	99.8	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-69.7	-43.2	175.9	-56.4	169.7	0	0	0	110.6	Y220 S221 W222 S227 G228 A229	Y220-I225 HydrophobicContact CD1-CD1 3.46Å; Y220-I225 VanDerWaalsContact CD1-CD1 3.46Å; Y220-I225 HydrophobicContact CD1-CG1 4.32Å; Y220-I225 HydrophobicContact CE1-CD1 3.33Å; Y220-I225 HydrophobicContact CE1-CG1 3.96Å; S221-I225 PolarHBondContact O-N 2.75Å; W222-I225 PolarHBondContact O-N 2.86Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 2.78Å; I225-G228 PolarHBondContact O-N 2.98Å; I225-A229 VanDerWaalsContact O-CB 3.3Å; I225-A229 WeakPolarHBondContact O-CB 3.28Å; I225-A229 PolarHBondContact O-N 2.76Å
226	L	74.6	Confident	75.5	Confident	99 Å²	99	98.4 Å²	98.4	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-42	178.5	-167.9	67.6	0	0	0	110.6	W222 T230	W222-L226 WeakPolarHBondContact O-CB 3.35Å; W222-L226 PolarHBondContact O-N 2.85Å; L226-T230 WeakPolarHBondContact O-CB 3.34Å; L226-T230 PolarHBondContact O-N 2.84Å; L226-T230 PolarHBondContact O-OG1 3.16Å
227	S	78.6	Confident	75.8	Confident	83 Å²	83	101.8 Å²	101.8	58%	0.58	54%	0.542	S	S	*	.	H	α-helix	trans	-60.3	-47	172.8	-179.2	0	0	0	0	112.3	E223 I225 T230 A231	E223-S227 VanDerWaalsContact O-CB 3.32Å; E223-S227 WeakPolarHBondContact O-CB 3.25Å; E223-S227 PolarHBondContact O-N 2.95Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 2.78Å; S227-T230 PolarHBondContact O-N 3.04Å; S227-A231 PolarHBondContact O-N 3.26Å
228	G	81.9	Confident	76.8	Confident	40 Å²	40	100 Å²	100	41%	0.412	54%	0.541	S	S	.	.	H	α-helix	trans	-64.4	-42.9	177.9	0	0	0	0	0	113.9	K224 I225 A231 F232	K224-G228 PolarHBondContact O-N 2.86Å; I225-G228 PolarHBondContact O-N 2.98Å; G228-A231 PolarHBondContact O-N 2.88Å; G228-F232 WeakPolarHBondContact O-CB 3.24Å; G228-F232 PolarHBondContact O-N 2.91Å
229	A	85.8	Confident	78.6	Confident	46 Å²	46	103.8 Å²	103.8	38%	0.38	55%	0.549	S	S	.	.	H	α-helix	trans	-65.9	-38.9	178.2	0	0	0	0	0	111.7	I225 F232 L233	I225-A229 VanDerWaalsContact O-CB 3.3Å; I225-A229 WeakPolarHBondContact O-CB 3.28Å; I225-A229 PolarHBondContact O-N 2.76Å; A229-F232 PolarHBondContact O-N 2.86Å; A229-L233 WeakPolarHBondContact O-CB 3.46Å; A229-L233 VanDerWaalsContact O-CG 3.31Å; A229-L233 WeakPolarHBondContact O-CG 3.37Å; A229-L233 PolarHBondContact O-N 3.42Å
230	T	84.4	Confident	80.5	Confident	73 Å²	73	101.5 Å²	101.5	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-43.5	176.8	-46.5	0	0	0	0	111	L226 S227 F232 L233 L234	L226-T230 WeakPolarHBondContact O-CB 3.34Å; L226-T230 PolarHBondContact O-N 2.84Å; L226-T230 PolarHBondContact O-OG1 3.16Å; S227-T230 PolarHBondContact O-N 3.04Å; T230-F232 PolarHBondContact O-N 2.96Å; T230-L233 PolarHBondContact O-N 2.71Å; T230-L234 HydrophobicContact CG2-CD1 4.45Å; T230-L234 WeakPolarHBondContact O-CG 3.33Å; T230-L234 PolarHBondContact O-N 3.39Å; T230-L234 VanDerWaalsContact O-N 3.08Å
231	A	88.5	Confident	82.4	Confident	63 Å²	63	97.2 Å²	97.2	52%	0.521	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-39.8	176	0	0	0	0	0	112.6	S227 G228 L234 G235	S227-A231 PolarHBondContact O-N 3.26Å; G228-A231 PolarHBondContact O-N 2.88Å; A231-L234 PolarHBondContact O-N 3.39Å; A231-G235 PolarHBondContact O-N 2.87Å
232	F	91.5	Very high	84.2	Confident	141 Å²	141	96.9 Å²	96.9	62%	0.618	54%	0.537	S	S	*	.	H	α-helix	trans	-66.7	-42.3	178.4	-173.3	-105.1	0	0	0	112.5	G228 A229 T230 G235 L236	G228-F232 WeakPolarHBondContact O-CB 3.24Å; G228-F232 PolarHBondContact O-N 2.91Å; A229-F232 PolarHBondContact O-N 2.86Å; T230-F232 PolarHBondContact O-N 2.96Å; F232-G235 PolarHBondContact O-N 3.32Å; F232-L236 HydrophobicContact CD1-CD1 3.81Å; F232-L236 HydrophobicContact CE1-CD1 3.37Å; F232-L236 HydrophobicContact CE1-CG 4.21Å; F232-L236 HydrophobicContact CZ-CD1 3.92Å; F232-L236 HydrophobicContact CZ-CG 4.36Å; F232-L236 PolarHBondContact O-N 2.89Å
233	L	93.6	Very high	85.7	Confident	111 Å²	111	89.7 Å²	89.7	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-41.8	175.8	-72.5	170.9	0	0	0	111.8	A229 T230 L236 T237	A229-L233 WeakPolarHBondContact O-CB 3.46Å; A229-L233 VanDerWaalsContact O-CG 3.31Å; A229-L233 WeakPolarHBondContact O-CG 3.37Å; A229-L233 PolarHBondContact O-N 3.42Å; T230-L233 PolarHBondContact O-N 2.71Å; L233-L236 PolarHBondContact O-N 2.71Å; L233-T237 WeakPolarHBondContact O-CG2 3.37Å; L233-T237 PolarHBondContact O-N 2.97Å; L233-T237 VanDerWaalsContact O-N 3.12Å; L233-T237 PolarHBondContact O-OG1 3.12Å
234	L	93.8	Very high	87.1	Confident	112 Å²	112	85.9 Å²	85.9	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-42.5	173.8	-71.8	170.3	0	0	0	111.5	T230 A231 L236 T237 V238	T230-L234 HydrophobicContact CG2-CD1 4.45Å; T230-L234 WeakPolarHBondContact O-CG 3.33Å; T230-L234 PolarHBondContact O-N 3.39Å; T230-L234 VanDerWaalsContact O-N 3.08Å; A231-L234 PolarHBondContact O-N 3.39Å; L234-L236 PolarHBondContact O-N 3.25Å; L234-T237 PolarHBondContact O-N 2.89Å; L234-T237 PolarHBondContact O-OG1 3.17Å; L234-V238 WeakPolarHBondContact O-CG2 3.25Å; L234-V238 PolarHBondContact O-N 3.4Å
235	G	92.7	Very high	88.2	Confident	41 Å²	41	83.2 Å²	83.2	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-44.5	175.2	0	0	0	0	0	113.5	A231 F232 T237 V238 F239	A231-G235 PolarHBondContact O-N 2.87Å; F232-G235 PolarHBondContact O-N 3.32Å; G235-T237 PolarHBondContact O-N 3.39Å; G235-V238 PolarHBondContact O-N 3.21Å; G235-F239 WeakPolarHBondContact O-CB 3.43Å; G235-F239 PolarHBondContact O-N 3.41Å
236	L	95.1	Very high	89.1	Confident	74 Å²	74	85.1 Å²	85.1	39%	0.387	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-40.8	178.8	-85.1	168.5	0	0	0	112.7	F232 L233 L234 F239 L240	F232-L236 HydrophobicContact CD1-CD1 3.81Å; F232-L236 HydrophobicContact CE1-CD1 3.37Å; F232-L236 HydrophobicContact CE1-CG 4.21Å; F232-L236 HydrophobicContact CZ-CD1 3.92Å; F232-L236 HydrophobicContact CZ-CG 4.36Å; F232-L236 PolarHBondContact O-N 2.89Å; L233-L236 PolarHBondContact O-N 2.71Å; L234-L236 PolarHBondContact O-N 3.25Å; L236-F239 PolarHBondContact O-N 3.05Å; L236-L240 WeakPolarHBondContact O-CB 3.33Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.41Å
237	T	92.6	Very high	89.6	Confident	79 Å²	79	85.6 Å²	85.6	49%	0.485	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-44.3	178.1	54.9	0	0	0	0	112	L233 L234 G235 F239 L240 V241	L233-T237 WeakPolarHBondContact O-CG2 3.37Å; L233-T237 PolarHBondContact O-N 2.97Å; L233-T237 VanDerWaalsContact O-N 3.12Å; L233-T237 PolarHBondContact O-OG1 3.12Å; L234-T237 PolarHBondContact O-N 2.89Å; L234-T237 PolarHBondContact O-OG1 3.17Å; G235-T237 PolarHBondContact O-N 3.39Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 2.96Å; T237-L240 PolarHBondContact O-N 2.79Å; T237-V241 VanDerWaalsContact O-CG2 3.29Å; T237-V241 WeakPolarHBondContact O-CG2 3.12Å; T237-V241 PolarHBondContact O-N 3.06Å
238	V	93.1	Very high	89.6	Confident	108 Å²	108	88.9 Å²	88.9	66%	0.655	51%	0.511	S	S	*	.	H	α-helix	trans	-61.7	-43.2	175.2	174	0	0	0	0	111	L234 G235 V241 G242	L234-V238 WeakPolarHBondContact O-CG2 3.25Å; L234-V238 PolarHBondContact O-N 3.4Å; G235-V238 PolarHBondContact O-N 3.21Å; V238-V241 PolarHBondContact O-N 3.46Å; V238-G242 PolarHBondContact O-N 3.36Å
239	F	93.5	Very high	89.4	Confident	147 Å²	147	89.7 Å²	89.7	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-63.2	-45.8	178.5	-176.6	-98.6	0	0	0	112.4	G235 L236 T237 G242 A243	G235-F239 WeakPolarHBondContact O-CB 3.43Å; G235-F239 PolarHBondContact O-N 3.41Å; L236-F239 PolarHBondContact O-N 3.05Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 2.96Å; F239-G242 PolarHBondContact O-N 3.14Å; F239-A243 WeakPolarHBondContact O-CB 3.33Å; F239-A243 PolarHBondContact O-N 2.63Å
240	L	93.6	Very high	88.8	Confident	108 Å²	108	92.4 Å²	92.4	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-42.9	178.4	-73.4	171.4	0	0	0	111.9	L236 T237 A243 V244	L236-L240 WeakPolarHBondContact O-CB 3.33Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.41Å; T237-L240 PolarHBondContact O-N 2.79Å; L240-A243 PolarHBondContact O-N 2.8Å; L240-V244 WeakPolarHBondContact O-CG2 3.12Å; L240-V244 PolarHBondContact O-N 3.31Å
241	V	93.8	Very high	88	Confident	90 Å²	90	96.3 Å²	96.3	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-45	175.3	172.5	0	0	0	0	110.5	T237 V238 A243 V244 I245	T237-V241 VanDerWaalsContact O-CG2 3.29Å; T237-V241 WeakPolarHBondContact O-CG2 3.12Å; T237-V241 PolarHBondContact O-N 3.06Å; V238-V241 PolarHBondContact O-N 3.46Å; V241-A243 PolarHBondContact O-N 3Å; V241-V244 PolarHBondContact O-N 3.38Å; V241-I245 HydrophobicContact CG1-CD1 3.87Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.18Å; V241-I245 PolarHBondContact O-N 2.85Å
242	G	90.2	Very high	86.6	Confident	38 Å²	38	96.1 Å²	96.1	39%	0.392	53%	0.528	S	S	.	.	H	α-helix	trans	-58.9	-44	175.2	0	0	0	0	0	112.9	V238 F239 I245 H246	V238-G242 PolarHBondContact O-N 3.36Å; F239-G242 PolarHBondContact O-N 3.14Å; G242-I245 PolarHBondContact O-N 2.86Å; G242-H246 WeakPolarHBondContact O-CB 3.39Å; G242-H246 PolarHBondContact O-N 3.49Å
243	A	91.1	Very high	84.7	Confident	37 Å²	37	93.9 Å²	93.9	31%	0.306	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-41.8	177.1	0	0	0	0	0	112.2	F239 L240 V241 H246 L247	F239-A243 WeakPolarHBondContact O-CB 3.33Å; F239-A243 PolarHBondContact O-N 2.63Å; L240-A243 PolarHBondContact O-N 2.8Å; V241-A243 PolarHBondContact O-N 3Å; A243-H246 PolarHBondContact O-N 2.85Å; A243-L247 WeakPolarHBondContact O-CB 3.42Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.44Å; A243-L247 PolarHBondContact O-N 3.32Å
244	V	89.9	Confident	82.7	Confident	79 Å²	79	96.9 Å²	96.9	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-42.5	175.8	171	0	0	0	0	111.3	L240 V241 L247 K248	L240-V244 WeakPolarHBondContact O-CG2 3.12Å; L240-V244 PolarHBondContact O-N 3.31Å; V241-V244 PolarHBondContact O-N 3.38Å; V244-L247 PolarHBondContact O-N 3.3Å; V244-K248 HydrophobicContact CG1-CD 4.48Å; V244-K248 WeakPolarHBondContact O-CB 3.4Å; V244-K248 WeakPolarHBondContact O-CG 3.28Å; V244-K248 PolarHBondContact O-N 2.79Å
245	I	88.1	Confident	80.7	Confident	107 Å²	107	99.3 Å²	99.3	55%	0.549	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-44.7	176.5	-66.9	167.6	0	0	0	110.3	V241 G242 K248 A249	V241-I245 HydrophobicContact CG1-CD1 3.87Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.18Å; V241-I245 PolarHBondContact O-N 2.85Å; G242-I245 PolarHBondContact O-N 2.86Å; I245-K248 PolarHBondContact O-N 2.81Å; I245-A249 WeakPolarHBondContact O-CB 3.43Å; I245-A249 PolarHBondContact O-N 3.43Å
246	H	84.9	Confident	78.5	Confident	112 Å²	112	102.8 Å²	102.8	52%	0.519	56%	0.564	S	S	.	*	H	α-helix	trans	-63.8	-43.2	178.5	-173.9	-89.5	0	0	0	112.4	G242 A243 K248 A249 Q250	G242-H246 WeakPolarHBondContact O-CB 3.39Å; G242-H246 PolarHBondContact O-N 3.49Å; A243-H246 PolarHBondContact O-N 2.85Å; H246-K248 VanDerWaalsContact C-N 3.34Å; H246-K248 PolarHBondContact O-N 2.68Å; H246-A249 PolarHBondContact O-N 2.74Å; H246-Q250 PolarHBondContact CE1-NE2 2.73Å; H246-Q250 VanDerWaalsContact CE1-NE2 3.32Å; H246-Q250 PolarHBondContact O-N 3.29Å
247	L	84.4	Confident	76.1	Confident	109 Å²	109	108.2 Å²	108.2	57%	0.571	59%	0.587	S	S	*	*	H	α-helix	trans	-64.3	-38.3	175.6	-72.5	170	0	0	0	111.8	A243 V244 K251	A243-L247 WeakPolarHBondContact O-CB 3.42Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.44Å; A243-L247 PolarHBondContact O-N 3.32Å; V244-L247 PolarHBondContact O-N 3.3Å; L247-K251 WeakPolarHBondContact O-CB 3.5Å; L247-K251 PolarHBondContact O-N 2.92Å
248	K	80.3	Confident	73.7	Confident	151 Å²	151	110.2 Å²	110.2	66%	0.657	60%	0.602	S	S	*	*	H	α-helix	trans	-65.1	-38.8	172.3	-77.3	-174.1	175.9	-174.1	0	112.1	V244 I245 H246 K251 A252	V244-K248 HydrophobicContact CG1-CD 4.48Å; V244-K248 WeakPolarHBondContact O-CB 3.4Å; V244-K248 WeakPolarHBondContact O-CG 3.28Å; V244-K248 PolarHBondContact O-N 2.79Å; I245-K248 PolarHBondContact O-N 2.81Å; H246-K248 VanDerWaalsContact C-N 3.34Å; H246-K248 PolarHBondContact O-N 2.68Å; K248-K251 PolarHBondContact O-N 2.91Å; K248-A252 PolarHBondContact O-N 2.66Å
249	A	75.9	Confident	70.9	Confident	57 Å²	57	108.9 Å²	108.9	47%	0.471	61%	0.609	S	S	.	*	H	α-helix	trans	-67.9	-40.9	176.6	0	0	0	0	0	112.6	I245 H246 K251 A252 S253	I245-A249 WeakPolarHBondContact O-CB 3.43Å; I245-A249 PolarHBondContact O-N 3.43Å; H246-A249 PolarHBondContact O-N 2.74Å; A249-K251 VanDerWaalsContact C-N 3.32Å; A249-K251 PolarHBondContact O-N 3.37Å; A249-A252 PolarHBondContact O-N 2.78Å; A249-S253 PolarHBondContact O-N 3.1Å
250	Q	73.4	Confident	68.1	Low	104 Å²	104	109.5 Å²	109.5	49%	0.486	62%	0.62	S	S	.	*	H	α-helix	trans	-63.3	-38.8	173.2	-76.6	-169.2	-31	0	0	112	H246 S253 M254	H246-Q250 PolarHBondContact CE1-NE2 2.73Å; H246-Q250 VanDerWaalsContact CE1-NE2 3.32Å; H246-Q250 PolarHBondContact O-N 3.29Å; Q250-S253 PolarHBondContact O-N 2.72Å; Q250-M254 PolarHBondContact O-N 3.44Å
251	K	68.4	Low	65.4	Low	155 Å²	155	113.3 Å²	113.3	67%	0.674	63%	0.634	S	S	*	*	H	α-helix	trans	-65.3	-38.4	176.5	-157.3	172.5	-175.5	-179	0	112.1	L247 K248 A249 M254	L247-K251 WeakPolarHBondContact O-CB 3.5Å; L247-K251 PolarHBondContact O-N 2.92Å; K248-K251 PolarHBondContact O-N 2.91Å; A249-K251 VanDerWaalsContact C-N 3.32Å; A249-K251 PolarHBondContact O-N 3.37Å; K251-M254 PolarHBondContact O-N 3.06Å
252	A	58.1	Low	62.8	Low	59 Å²	59	112.9 Å²	112.9	49%	0.488	64%	0.641	S	S	.	*	H	α-helix	trans	-67.5	-33.1	173.3	0	0	0	0	0	113.2	K248 A249 E255	K248-A252 PolarHBondContact O-N 2.66Å; A249-A252 PolarHBondContact O-N 2.78Å; A252-E255 PolarHBondContact O-N 3.25Å
253	S	53.3	Low	60.4	Low	93 Å²	93	116.5 Å²	116.5	65%	0.65	66%	0.66	S	S	*	*	H	α-helix	trans	-75.6	-26.3	176.8	-167.3	0	0	0	0	113.7	A249 Q250 E255	A249-S253 PolarHBondContact O-N 3.1Å; Q250-S253 PolarHBondContact O-N 2.72Å; S253-E255 VanDerWaalsContact C-N 3.26Å
254	M	51.4	Low	57.8	Low	174 Å²	174	126.4 Å²	126.4	86%	0.857	69%	0.689	S	S	*	*	H	α-helix	trans	-74.9	-14	173.1	-82.7	174.5	74.9	0	0	113.2	Q250 K251	Q250-M254 PolarHBondContact O-N 3.44Å; K251-M254 PolarHBondContact O-N 3.06Å
255	E	50.3	Low	55.4	Low	164 Å²	164	126.4 Å²	126.4	77%	0.766	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	2.6	-176.8	-149.1	152.8	-167.2	0	0	113.3	A252 S253	A252-E255 PolarHBondContact O-N 3.25Å; S253-E255 VanDerWaalsContact C-N 3.26Å
256	T	46.9	Very low	53	Low	114 Å²	114	129.6 Å²	129.6	70%	0.699	71%	0.714	S	S	*	*			trans	-119.3	82.7	177.2	-47.4	0	0	0	0	111.4
257	Q	45.6	Very low	50.8	Low	188 Å²	188	131.7 Å²	131.7	88%	0.879	73%	0.729	S	S	*	*			trans	-148.2	106.6	160.8	-163.4	166.5	-14.4	0	0	110
258	P	42.8	Very low	49.6	Very low	121 Å²	121	131.6 Å²	131.6	79%	0.786	74%	0.735	S	S	*	*			trans	-105.1	133.6	164.8	32.1	-20.9	0	0	0	111.5
259	G	34	Very low	48.7	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	73%	0.734	S	S	*	*			trans	-85.8	157.6	169.7	0	0	0	0	0	113.3
260	N	35.1	Very low	47.1	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	75%	0.751	S	S	*	*			trans	-48.7	151	176.6	-76	-23.6	0	0	0	115.7
261	E	36.2	Very low	46.4	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	76%	0.755	S	S	*	*				170.2	139.2	90.9	-137.1	168.3	174.2	0	0	115.7
262	A	37.9	Very low	45	Very low	82 Å²	82	141.1 Å²	141.1	68%	0.678	78%	0.78	S	S	*	*			trans	67.5	114.9	141.6	0	0	0	0	0	126.5
263	S	40.3	Very low	44.4	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	79%	0.794	S	S	*	*				105.1	132.8	112.3	-77.8	0	0	0	0	124.4
264	R	37.5	Very low	43.9	Very low	246 Å²	246	148 Å²	148	93%	0.928	80%	0.802	S	S	*	*			trans	76.2	147.5	154.2	-74.9	-176.4	-169.1	134.5	4	119.3
265	A	38.5	Very low	43.5	Very low	78 Å²	78	146.6 Å²	146.6	65%	0.645	80%	0.799	S	S	*	*			cis	-176.9	162.7	-22.4	0	0	0	0	0	106.5
266	L	37.1	Very low	43.1	Very low	174 Å²	174	145.5 Å²	145.5	91%	0.911	80%	0.801	S	S	*	*			trans	101.5	110.6	157.2	-61.5	156.9	0	0	0	118.4
267	L	38.9	Very low	42.9	Very low	157 Å²	157	147.5 Å²	147.5	82%	0.822	81%	0.807	S	S	*	*			trans	-98.2	179.8	153.4	-94.3	167.7	0	0	0	107.1
268	P	61	Low	42.7	Very low	107 Å²	107	144.8 Å²	144.8	70%	0.695	80%	0.802	S	S	*	*			cis	-137.5	-139.4	-16	31.9	-5.2	0	0	0	108.5
269	P	61.4	Low	42.7	Very low	99 Å²	99	146.5 Å²	146.5	64%	0.643	80%	0.803	S	S	*	*			cis	-142.6	159.6	-10.2	34.2	-11.3	0	0	0	119.8
270	H	40.7	Very low	43.4	Very low	177 Å²	177	151.7 Å²	151.7	82%	0.819	80%	0.802	S	S	*	*			trans	56.9	170.9	132.9	-74.9	-52.3	0	0	0	122.8
271	P	58.7	Low	44	Very low	90 Å²	90	150.9 Å²	150.9	58%	0.584	80%	0.797	S	S	*	*				-134.1	162.8	-52.1	36.7	-21	0	0	0	111.7
272	Y	40.5	Very low	44.8	Very low	301 Å²	301	147.6 Å²	147.6	100%	1.18	79%	0.791	S	S	*	*				173.7	0	129	-93.2	-66.5	0	0	0	108.9

Retrieved 272 of 272 residues in 262.3 ms (Link to these results)

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