A0A061ACK7_CAEEL Loading...

Phosphoserine phosphatase

AlphaFold DB , UniProt , Accession A0A061ACK7, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 287 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	42.6	Very low	41.4	Very low	256 Å²	256	166.4 Å²	166.4	100%	1.261	81%	0.808	S	S	*	*				0	50.6	0	-148.6	176.9	179.8	0	0	110.8
2	A	37.5	Very low	41.6	Very low	90 Å²	90	169.3 Å²	169.3	74%	0.744	81%	0.807	S	S	*	*			trans	-158.3	131	174.5	0	0	0	0	0	105.4
3	V	40.3	Very low	41.4	Very low	125 Å²	125	164.2 Å²	164.2	76%	0.758	80%	0.799	S	S	*	*			trans	-125.6	101	175.4	-175.6	0	0	0	0	108	F5	V3-F5 HydrophobicContact CG1-CD2 3.66Å; V3-F5 HydrophobicContact CG1-CE2 3.67Å
4	F	34.2	Very low	41.9	Very low	191 Å²	191	165.5 Å²	165.5	84%	0.838	80%	0.803	S	S	*	*			trans	-67.1	132.1	161.2	-110.3	-105	0	0	0	108.4
5	F	50.9	Low	41.8	Very low	182 Å²	182	164.3 Å²	164.3	80%	0.798	80%	0.802	S	S	*	*			trans	-122.7	111.4	158	-99.4	-79.3	0	0	0	109.7	V3 F7	V3-F5 HydrophobicContact CG1-CD2 3.66Å; V3-F5 HydrophobicContact CG1-CE2 3.67Å; F5-F7 HydrophobicContact CD1-CD2 4.43Å
6	H	38.4	Very low	41.5	Very low	156 Å²	156	160.5 Å²	160.5	72%	0.722	79%	0.791	S	S	*	*			trans	-92.2	127.3	172.4	-150.9	79	0	0	0	106.1
7	F	44.7	Very low	41.2	Very low	190 Å²	190	161.2 Å²	161.2	83%	0.833	79%	0.789	S	S	*	*			trans	-141.4	139.3	162.5	-109.8	-82.5	0	0	0	113.3	F5	F5-F7 HydrophobicContact CD1-CD2 4.43Å
8	H	47.1	Very low	41	Very low	162 Å²	162	161.9 Å²	161.9	75%	0.75	79%	0.79	S	S	*	*			trans	-57.2	145.2	-160.3	-99.7	-92.2	0	0	0	118.4
9	R	35.8	Very low	40.9	Very low	208 Å²	208	160.4 Å²	160.4	79%	0.785	79%	0.785	S	S	*	*			trans	-76.3	129.8	159.7	-167.9	179	179.2	-174.6	-0.3	109.4
10	I	47.6	Very low	40.7	Very low	145 Å²	145	159.7 Å²	159.7	74%	0.744	79%	0.785	S	S	*	*			trans	-126.8	120.2	161.3	-66.5	178.6	0	0	0	107.8	Y12	I10-Y12 HydrophobicContact CG2-CD2 4.1Å; I10-Y12 HydrophobicContact CG2-CE2 4.22Å
11	L	36.6	Very low	40.7	Very low	125 Å²	125	161.4 Å²	161.4	65%	0.654	79%	0.789	S	S	*	*			trans	-87.1	138.8	172.1	-80.7	145.9	0	0	0	108.9
12	Y	43.9	Very low	40.7	Very low	202 Å²	202	160.5 Å²	160.5	79%	0.792	77%	0.771	S	S	*	*			trans	-130.5	112.9	155.4	-98.5	-83.8	0	0	0	108.9	I10	I10-Y12 HydrophobicContact CG2-CD2 4.1Å; I10-Y12 HydrophobicContact CG2-CE2 4.22Å
13	S	38.5	Very low	40.4	Very low	102 Å²	102	164.5 Å²	164.5	71%	0.713	78%	0.777	S	S	*	*			trans	-104.8	126.7	164.3	-67.6	0	0	0	0	107.7
14	H	48.8	Very low	40.7	Very low	183 Å²	183	166.1 Å²	166.1	85%	0.847	78%	0.779	S	S	*	*			trans	-140.3	152.4	158.1	-86.7	-68.8	0	0	0	110
15	N	40.3	Very low	40.9	Very low	147 Å²	147	168.4 Å²	168.4	79%	0.786	78%	0.783	S	S	*	*			trans	-135.2	159.6	-142.7	-155.3	1.6	0	0	0	106.6
16	V	37.2	Very low	40.6	Very low	104 Å²	104	166.3 Å²	166.3	63%	0.63	78%	0.784	S	S	*	*			trans	72.3	124.1	161.7	-134.8	0	0	0	0	115
17	F	36.9	Very low	40.8	Very low	173 Å²	173	162.7 Å²	162.7	76%	0.759	78%	0.781	S	S	*	*				-166.7	130.3	61	-117.7	-88.4	0	0	0	110.9	L19	F17-L19 HydrophobicContact CD1-CD1 3.75Å; F17-L19 HydrophobicContact CE1-CD1 3.98Å
18	Q	36.1	Very low	40.5	Very low	174 Å²	174	161.4 Å²	161.4	81%	0.813	78%	0.782	S	S	*	*			trans	-93.5	138.3	156.9	-84.4	-160	-19	0	0	108.9
19	L	40.6	Very low	40.2	Very low	132 Å²	132	158.3 Å²	158.3	69%	0.691	78%	0.777	S	S	*	*			trans	-125.2	116.1	162.1	-121.8	90.6	0	0	0	109.7	F17 F21	F17-L19 HydrophobicContact CD1-CD1 3.75Å; F17-L19 HydrophobicContact CE1-CD1 3.98Å; L19-F21 HydrophobicContact CD2-CD2 4.37Å; L19-F21 HydrophobicContact CD2-CE2 3.98Å
20	N	35.6	Very low	40.5	Very low	147 Å²	147	154 Å²	154	79%	0.786	77%	0.774	S	S	*	*			trans	-81.4	135.9	165.7	-84.1	-40.9	0	0	0	109.4
21	F	41.5	Very low	40.3	Very low	196 Å²	196	153.7 Å²	153.7	86%	0.86	78%	0.779	S	S	*	*			trans	-116.1	123.9	161.8	-105.8	-86.1	0	0	0	110.4	L19	L19-F21 HydrophobicContact CD2-CD2 4.37Å; L19-F21 HydrophobicContact CD2-CE2 3.98Å
22	R	41.7	Very low	40.6	Very low	236 Å²	236	152.4 Å²	152.4	89%	0.891	79%	0.786	S	S	*	*			trans	-101.4	140.3	-174.2	-153.4	177.5	-174.4	-173.1	1.3	109
23	M	32.2	Very low	40.6	Very low	175 Å²	175	148.8 Å²	148.8	86%	0.862	79%	0.79	S	S	*	*			trans	-52	138.8	175.9	-87.4	-176.4	-90.3	0	0	114
24	I	46.3	Very low	40.8	Very low	158 Å²	158	148.3 Å²	148.3	81%	0.81	79%	0.792	S	S	*	*			trans	-127.4	116.8	151.7	-66.2	177.2	0	0	0	107.7	V26	I24-V26 HydrophobicContact CG2-CG2 4.04Å
25	R	37.3	Very low	40.6	Very low	240 Å²	240	146.9 Å²	146.9	91%	0.906	79%	0.789	S	S	*	*			trans	-89.3	128.4	165.1	-96.3	-179	169.5	178.8	-2.8	107.9
26	V	46.1	Very low	40.7	Very low	138 Å²	138	145.7 Å²	145.7	84%	0.836	79%	0.789	S	S	*	*			trans	-132.8	134.1	158.3	179.7	0	0	0	0	107.3	I24	I24-V26 HydrophobicContact CG2-CG2 4.04Å
27	A	41.3	Very low	40.6	Very low	79 Å²	79	152.2 Å²	152.2	65%	0.653	80%	0.803	S	S	*	*			trans	-115.8	147	-172.8	0	0	0	0	0	111.5
28	L	39.8	Very low	41.1	Very low	163 Å²	163	149.2 Å²	149.2	85%	0.853	80%	0.803	S	S	*	*			trans	79.9	156.2	151.4	-64.7	156.1	0	0	0	119
29	P	40.3	Very low	41.7	Very low	98 Å²	98	148.4 Å²	148.4	64%	0.636	80%	0.803	S	S	*	*			cis	-140	165.6	-30	35.7	-17.2	0	0	0	116
30	T	41.5	Very low	42.2	Very low	118 Å²	118	147.2 Å²	147.2	72%	0.724	81%	0.806	S	S	*	*			trans	45.2	113.1	145.6	54	0	0	0	0	121.7
31	T	44.3	Very low	42.9	Very low	138 Å²	138	143 Å²	143	85%	0.847	79%	0.785	S	S	*	*				164.6	142	101.1	40.8	0	0	0	0	112.8
32	A	43	Very low	43.6	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	77%	0.765	S	S	*	*			trans	71.8	116.3	149	0	0	0	0	0	123
33	S	43	Very low	44.7	Very low	127 Å²	127	130.3 Å²	130.3	89%	0.888	76%	0.755	S	S	*	*			trans	84.2	144.4	136.6	-155.7	0	0	0	0	120.7
34	A	42.9	Very low	46	Very low	92 Å²	92	124.3 Å²	124.3	76%	0.76	74%	0.738	S	S	*	*			trans	-75.7	146.6	-158.2	0	0	0	0	0	115.9
35	I	44.9	Very low	46.8	Very low	153 Å²	153	120.8 Å²	120.8	79%	0.785	72%	0.718	S	S	*	*			trans	-131.8	130.3	155.1	-58	177	0	0	0	106.5	R37	I35-R37 PolarHBondContact O-N 3.28Å
36	P	41.9	Very low	47.9	Very low	121 Å²	121	112.1 Å²	112.1	79%	0.786	69%	0.692	S	S	*	*			trans	-65.4	123.8	175.3	26.9	-30.6	0	0	0	109.1	S38	P36-S38 PolarHBondContact O-N 3.14Å; P36-S38 VanDerWaalsContact O-N 3.14Å
37	R	36.6	Very low	48.8	Very low	241 Å²	241	110 Å²	110	91%	0.909	68%	0.675	S	S	*	*			trans	-69.4	107.6	173.1	-78.5	-179.1	174.5	170.4	-1.9	108.4	I35 I39	I35-R37 PolarHBondContact O-N 3.28Å; R37-I39 PolarHBondContact O-N 3.07Å
38	S	45.6	Very low	50.2	Low	110 Å²	110	109.6 Å²	109.6	77%	0.769	67%	0.667	S	S	*	*			trans	-62.3	124.3	160.2	49.9	0	0	0	0	108.6	P36 S40	P36-S38 PolarHBondContact O-N 3.14Å; P36-S38 VanDerWaalsContact O-N 3.14Å; S38-S40 PolarHBondContact O-N 3.38Å
39	I	50.1	Low	51.9	Low	157 Å²	157	106.6 Å²	106.6	81%	0.805	65%	0.647	S	S	*	*			trans	-74.6	95.4	172.6	-61.7	171.3	0	0	0	106.7	R37 T41	R37-I39 PolarHBondContact O-N 3.07Å; I39-T41 HydrophobicContact CG2-CG2 4.32Å; I39-T41 PolarHBondContact O-N 3.45Å
40	S	51.2	Low	54	Low	108 Å²	108	106.5 Å²	106.5	76%	0.755	64%	0.641	S	S	*	*			trans	-80.2	95.5	168.6	158.4	0	0	0	0	108.6	S38 S42	S38-S40 PolarHBondContact O-N 3.38Å; S40-S42 PolarHBondContact O-N 3.33Å
41	T	49	Very low	56.3	Low	58 Å²	58	104.4 Å²	104.4	36%	0.356	62%	0.623	S	S	.	*			trans	-65.1	127.8	168	49.5	0	0	0	0	109.5	I39	I39-T41 HydrophobicContact CG2-CG2 4.32Å; I39-T41 PolarHBondContact O-N 3.45Å
42	S	56.6	Low	58.7	Low	63 Å²	63	100.7 Å²	100.7	44%	0.441	60%	0.596	S	S	.	*			trans	-66.5	151.9	178.6	70.3	0	0	0	0	111.1	S40 G44 E45 T46	S40-S42 PolarHBondContact O-N 3.33Å; S42-G44 PolarHBondContact O-N 3.44Å; S42-G44 VanDerWaalsContact O-N 3.08Å; S42-E45 WeakPolarHBondContact O-CB 3.36Å; S42-E45 PolarHBondContact O-N 3.22Å; S42-T46 PolarHBondContact O-N 2.9Å
43	P	64	Low	61.1	Low	103 Å²	103	99.7 Å²	99.7	67%	0.669	58%	0.575	S	S	*	*	H	α-helix	trans	-53.1	-34.8	-178.9	-27.8	34.3	0	0	0	114.2	T46 I47	P43-T46 PolarHBondContact O-N 3.08Å; P43-I47 WeakPolarHBondContact O-CG1 3.33Å; P43-I47 PolarHBondContact O-N 3.11Å; P43-I47 VanDerWaalsContact O-N 3.11Å
44	G	60	Low	63.5	Low	49 Å²	49	98.1 Å²	98.1	51%	0.505	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-33.8	176.5	0	0	0	0	0	113.5	S42 S48	S42-G44 PolarHBondContact O-N 3.44Å; S42-G44 VanDerWaalsContact O-N 3.08Å; G44-S48 WeakPolarHBondContact O-CB 3.41Å; G44-S48 PolarHBondContact O-N 3.04Å
45	E	63.3	Low	66.1	Low	83 Å²	83	94.2 Å²	94.2	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-69.6	-39.1	176.5	-159.8	-172.9	156.9	0	0	111.1	S42 S48 K49	S42-E45 WeakPolarHBondContact O-CB 3.36Å; S42-E45 PolarHBondContact O-N 3.22Å; E45-S48 PolarHBondContact O-N 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.34Å; E45-K49 WeakPolarHBondContact O-CG 3.43Å; E45-K49 PolarHBondContact O-N 3.33Å; E45-K49 WeakPolarHBondContact OE1-CE 3.46Å; E45-K49 IonicContact OE1-NZ 2.77Å; E45-K49 PolarHBondContact OE1-NZ 3Å
46	T	61	Low	68.6	Low	58 Å²	58	88.3 Å²	88.3	36%	0.356	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-44.6	175.5	-49.7	0	0	0	0	111.9	S42 P43 S48 K49 N50	S42-T46 PolarHBondContact O-N 2.9Å; P43-T46 PolarHBondContact O-N 3.08Å; T46-S48 PolarHBondContact O-N 3.49Å; T46-K49 PolarHBondContact O-N 2.77Å; T46-N50 PolarHBondContact O-N 3.07Å; T46-N50 PolarHBondContact O-OD1 3.36Å
47	I	64.8	Low	71.1	Confident	94 Å²	94	87.7 Å²	87.7	48%	0.482	47%	0.471	S	S	.	.	H	α-helix	trans	-62.1	-44.4	177.5	-67.1	165.6	0	0	0	110.7	P43 K49 N50 H51	P43-I47 WeakPolarHBondContact O-CG1 3.33Å; P43-I47 PolarHBondContact O-N 3.11Å; P43-I47 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 3.47Å; I47-N50 PolarHBondContact O-N 3.48Å; I47-H51 PolarHBondContact O-N 3.47Å
48	S	70.9	Confident	74	Confident	70 Å²	70	78.1 Å²	78.1	49%	0.49	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-43.1	178	-168	0	0	0	0	111.9	G44 E45 T46 H51 E52	G44-S48 WeakPolarHBondContact O-CB 3.41Å; G44-S48 PolarHBondContact O-N 3.04Å; E45-S48 PolarHBondContact O-N 3.3Å; T46-S48 PolarHBondContact O-N 3.49Å; S48-H51 PolarHBondContact O-N 3.44Å; S48-E52 PolarHBondContact O-N 2.98Å
49	K	74.9	Confident	76.5	Confident	100 Å²	100	72.9 Å²	72.9	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.8	-75.1	176.5	-175.8	168.8	0	111.9	E45 T46 I47 H51 E52 E53	E45-K49 WeakPolarHBondContact O-CB 3.34Å; E45-K49 WeakPolarHBondContact O-CG 3.43Å; E45-K49 PolarHBondContact O-N 3.33Å; E45-K49 WeakPolarHBondContact OE1-CE 3.46Å; E45-K49 IonicContact OE1-NZ 2.77Å; E45-K49 PolarHBondContact OE1-NZ 3Å; T46-K49 PolarHBondContact O-N 2.77Å; I47-K49 PolarHBondContact O-N 3.47Å; K49-H51 PolarHBondContact O-N 3.5Å; K49-E52 PolarHBondContact O-N 3.03Å; K49-E53 WeakPolarHBondContact O-CG 3.49Å; K49-E53 PolarHBondContact O-N 3.43Å
50	N	83.9	Confident	78.7	Confident	97 Å²	97	66.9 Å²	66.9	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-43.1	176.5	-72.8	-4	0	0	0	111.9	T46 I47 E52 E53 E54	T46-N50 PolarHBondContact O-N 3.07Å; T46-N50 PolarHBondContact O-OD1 3.36Å; I47-N50 PolarHBondContact O-N 3.48Å; N50-E52 PolarHBondContact O-N 2.9Å; N50-E53 PolarHBondContact O-N 3.34Å; N50-E54 WeakPolarHBondContact O-CG 3.39Å; N50-E54 PolarHBondContact O-N 3.47Å
51	H	90.8	Very high	80.9	Confident	73 Å²	73	66.8 Å²	66.8	34%	0.338	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-36.8	176.8	-69.5	171.1	0	0	0	113	I47 S48 K49 E54 V55 K264	I47-H51 PolarHBondContact O-N 3.47Å; S48-H51 PolarHBondContact O-N 3.44Å; K49-H51 PolarHBondContact O-N 3.5Å; H51-E54 IonicContact CD2-OE2 3.26Å; H51-V55 WeakPolarHBondContact O-CG2 3.48Å; H51-V55 PolarHBondContact O-N 3.06Å; H51-K264 HydrophobicContact CB-CB 4.24Å; H51-K264 HydrophobicContact CB-CD 3.94Å; H51-K264 HydrophobicContact CB-CG 3.96Å
52	E	94.4	Very high	83.2	Confident	60 Å²	60	64.3 Å²	64.3	28%	0.28	34%	0.341	S	S	.	.	H	α-helix	trans	-66.2	-45.6	176.1	-171.8	-179	130.8	0	0	111.3	S48 K49 N50 E54 V55 K56 W265	S48-E52 PolarHBondContact O-N 2.98Å; K49-E52 PolarHBondContact O-N 3.03Å; N50-E52 PolarHBondContact O-N 2.9Å; E52-E54 VanDerWaalsContact C-N 3.33Å; E52-E54 PolarHBondContact O-N 3.02Å; E52-V55 PolarHBondContact O-N 3.08Å; E52-V55 VanDerWaalsContact O-N 3.08Å; E52-K56 PolarHBondContact O-N 2.92Å; E52-K56 WeakPolarHBondContact OE1-CE 3.38Å; E52-K56 IonicContact OE1-NZ 2.9Å; E52-K56 PolarHBondContact OE1-NZ 3.42Å; E52-W265 HydrophobicContact CG-CB 4.13Å; E52-W265 HydrophobicContact CG-CG 3.93Å
53	E	93.7	Very high	85.2	Confident	77 Å²	77	64.3 Å²	64.3	36%	0.36	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-32.9	178.7	-70	-54	135.5	0	0	113.1	K49 N50 V55 K56 R57	K49-E53 WeakPolarHBondContact O-CG 3.49Å; K49-E53 PolarHBondContact O-N 3.43Å; N50-E53 PolarHBondContact O-N 3.34Å; E53-V55 VanDerWaalsContact C-N 3.33Å; E53-V55 PolarHBondContact O-N 3.29Å; E53-K56 PolarHBondContact O-N 3Å; E53-K56 WeakPolarHBondContact OE1-CD 3.44Å; E53-K56 IonicContact OE1-NZ 3.96Å; E53-K56 PolarHBondContact OE1-NZ 2.74Å; E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 3.45Å
54	E	94	Very high	86.8	Confident	94 Å²	94	59.4 Å²	59.4	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-56.7	-47.8	168.3	-75.7	171.2	-178.3	0	0	111.2	N50 H51 E52 R57 V58 K264	N50-E54 WeakPolarHBondContact O-CG 3.39Å; N50-E54 PolarHBondContact O-N 3.47Å; H51-E54 IonicContact CD2-OE2 3.26Å; E52-E54 VanDerWaalsContact C-N 3.33Å; E52-E54 PolarHBondContact O-N 3.02Å; E54-R57 WeakPolarHBondContact O-CB 3.49Å; E54-R57 PolarHBondContact O-N 3.3Å; E54-V58 WeakPolarHBondContact O-CG2 3.47Å; E54-V58 PolarHBondContact O-N 2.9Å; E54-V58 VanDerWaalsContact O-N 3.15Å; E54-K264 IonicContact OE2-NZ 2.79Å; E54-K264 PolarHBondContact OE2-NZ 3.5Å
55	V	96.6	Very high	88.7	Confident	9 Å²	9	57 Å²	57	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-41.1	-179.3	-178.5	0	0	0	0	111.3	H51 E52 E53 R57 V58 W59 A246 I248 K264 W265	H51-V55 WeakPolarHBondContact O-CG2 3.48Å; H51-V55 PolarHBondContact O-N 3.06Å; E52-V55 PolarHBondContact O-N 3.08Å; E52-V55 VanDerWaalsContact O-N 3.08Å; E53-V55 VanDerWaalsContact C-N 3.33Å; E53-V55 PolarHBondContact O-N 3.29Å; V55-R57 VanDerWaalsContact C-N 3.3Å; V55-R57 PolarHBondContact O-N 2.87Å; V55-V58 PolarHBondContact O-N 3.47Å; V55-W59 WeakPolarHBondContact O-CB 3.09Å; V55-W59 PolarHBondContact O-N 2.82Å; V55-A246 HydrophobicContact CG1-CB 3.89Å; V55-I248 HydrophobicContact CG1-CG1 3.92Å; V55-K264 HydrophobicContact CG2-CB 3.56Å; V55-K264 HydrophobicContact CG2-CD 4.03Å; V55-K264 HydrophobicContact CG2-CG 4.47Å; V55-W265 HydrophobicContact CB-CB 4.02Å; V55-W265 HydrophobicContact CG1-CB 3.83Å; V55-W265 HydrophobicContact CG1-CE3 3.85Å
56	K	96.9	Very high	90.3	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-40.4	174.6	-73.5	175.2	-178.3	162.3	0	112.2	E52 E53 V58 W59 R60 W265	E52-K56 PolarHBondContact O-N 2.92Å; E52-K56 WeakPolarHBondContact OE1-CE 3.38Å; E52-K56 IonicContact OE1-NZ 2.9Å; E52-K56 PolarHBondContact OE1-NZ 3.42Å; E53-K56 PolarHBondContact O-N 3Å; E53-K56 WeakPolarHBondContact OE1-CD 3.44Å; E53-K56 IonicContact OE1-NZ 3.96Å; E53-K56 PolarHBondContact OE1-NZ 2.74Å; K56-V58 PolarHBondContact O-N 2.97Å; K56-W59 WeakPolarHBondContact O-CB 3.38Å; K56-W59 PolarHBondContact O-N 3.26Å; K56-R60 WeakPolarHBondContact O-CG 3.35Å; K56-R60 PolarHBondContact O-N 2.74Å; K56-W265 HydrophobicContact CG-CD2 4.1Å; K56-W265 HydrophobicContact CG-CE3 4Å; K56-W265 HydrophobicContact CG-CH2 3.8Å; K56-W265 HydrophobicContact CG-CZ2 3.9Å; K56-W265 HydrophobicContact CG-CZ3 3.86Å
57	R	96	Very high	92.1	Very high	108 Å²	108	50.3 Å²	50.3	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-44.8	175	-164.9	-172.1	-49.9	-88	-1.6	112.1	E53 E54 V55 W59 K61 E281	E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 3.45Å; E54-R57 WeakPolarHBondContact O-CB 3.49Å; E54-R57 PolarHBondContact O-N 3.3Å; V55-R57 VanDerWaalsContact C-N 3.3Å; V55-R57 PolarHBondContact O-N 2.87Å; R57-W59 VanDerWaalsContact C-N 3.35Å; R57-K61 WeakPolarHBondContact O-CG 3.48Å; R57-K61 PolarHBondContact O-N 3.27Å; R57-E281 WeakPolarHBondContact CG-OE1 3.37Å
58	V	96.8	Very high	93.8	Very high	40 Å²	40	46.4 Å²	46.4	24%	0.242	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-42	175.7	178.4	0	0	0	0	110.7	E54 V55 K56 K61 A62 T227 V229 D245 A246	E54-V58 WeakPolarHBondContact O-CG2 3.47Å; E54-V58 PolarHBondContact O-N 2.9Å; E54-V58 VanDerWaalsContact O-N 3.15Å; V55-V58 PolarHBondContact O-N 3.47Å; K56-V58 PolarHBondContact O-N 2.97Å; V58-K61 CarbonylContact O-C 3.59Å; V58-K61 PolarHBondContact O-N 3.47Å; V58-A62 PolarHBondContact O-N 2.97Å; V58-A62 VanDerWaalsContact O-N 3.13Å; V58-T227 HydrophobicContact CG1-CG2 3.47Å; V58-T227 VanDerWaalsContact CG1-CG2 3.47Å; V58-T227 WeakPolarHBondContact O-CG2 3.43Å; V58-V229 HydrophobicContact CG1-CG2 4.11Å; V58-D245 HydrophobicContact CG1-CB 3.88Å; V58-A246 HydrophobicContact CB-CB 3.99Å; V58-A246 HydrophobicContact CG1-CB 3.57Å
59	W	97.8	Very high	95	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-48.3	177	169.3	-112	0	0	0	113.2	V55 K56 R57 K61 A62 V65 L144 L148 V229 V231 I248 W265 L273 L277	V55-W59 WeakPolarHBondContact O-CB 3.09Å; V55-W59 PolarHBondContact O-N 2.82Å; K56-W59 WeakPolarHBondContact O-CB 3.38Å; K56-W59 PolarHBondContact O-N 3.26Å; R57-W59 VanDerWaalsContact C-N 3.35Å; W59-K61 PolarHBondContact O-N 3.21Å; W59-A62 WeakPolarHBondContact O-CB 2.86Å; W59-A62 PolarHBondContact O-N 3.49Å; W59-V65 HydrophobicContact CE3-CG2 4.36Å; W59-V65 HydrophobicContact CH2-CG1 4.48Å; W59-V65 HydrophobicContact CH2-CG2 4.36Å; W59-V65 HydrophobicContact CZ3-CB 4.46Å; W59-V65 HydrophobicContact CZ3-CG1 3.86Å; W59-V65 HydrophobicContact CZ3-CG2 3.68Å; W59-L144 HydrophobicContact CH2-CD1 4.03Å; W59-L144 HydrophobicContact CZ2-CD1 3.76Å; W59-L148 HydrophobicContact CH2-CD1 4.14Å; W59-L148 HydrophobicContact CH2-CD2 4.01Å; W59-L148 HydrophobicContact CZ2-CD2 4.32Å; W59-V229 HydrophobicContact CE3-CB 4.33Å; W59-V229 HydrophobicContact CE3-CG1 4.02Å; W59-V229 HydrophobicContact CE3-CG2 4.4Å; W59-V229 HydrophobicContact CZ3-CG1 4.44Å; W59-V231 HydrophobicContact CZ3-CG2 4.26Å; W59-I248 HydrophobicContact CB-CD1 4.28Å; W59-I248 HydrophobicContact CD2-CD1 3.84Å; W59-I248 HydrophobicContact CE3-CD1 3.55Å; W59-I248 HydrophobicContact CG-CD1 4.18Å; W59-I248 HydrophobicContact CZ3-CD1 4.14Å; W59-W265 HydrophobicContact CB-CZ3 3.76Å; W59-W265 AromaticContact CD1-CH2 3.71Å; W59-W265 AromaticContact CD1-CZ3 3.62Å; W59-W265 HydrophobicContact CD2-CZ3 4.29Å; W59-W265 HydrophobicContact CG-CH2 4.17Å; W59-W265 AromaticContact CG-CZ3 3.61Å; W59-W265 HydrophobicContact CG-CZ3 3.61Å; W59-L273 HydrophobicContact CH2-CB 4.36Å; W59-L273 HydrophobicContact CH2-CD1 4.35Å; W59-L273 HydrophobicContact CZ2-CB 3.67Å; W59-L273 HydrophobicContact CZ2-CD1 4.42Å; W59-L273 PolarHBondContact NE1-O 3.41Å; W59-L273 VanDerWaalsContact NE1-O 3.12Å; W59-L277 HydrophobicContact CD2-CD2 4.24Å; W59-L277 HydrophobicContact CG-CD2 4.43Å; W59-L277 HydrophobicContact CZ2-CD1 3.76Å; W59-L277 HydrophobicContact CZ2-CD2 3.91Å; W59-L277 HydrophobicContact CZ2-CG 3.8Å
60	R	96.8	Very high	96.1	Very high	31 Å²	31	39.4 Å²	39.4	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-27.2	178.2	-67	172.5	-159.7	149.6	0.8	112.7	K56 R151 D276	K56-R60 WeakPolarHBondContact O-CG 3.35Å; K56-R60 PolarHBondContact O-N 2.74Å; R60-R151 PolarHBondContact O-NH2 3.25Å; R60-D276 IonicContact CZ-OD1 2.9Å; R60-D276 IonicContact CZ-OD2 2.94Å; R60-D276 PolarHBondContact NE-O 3.36Å; R60-D276 IonicContact NE-OD1 3.9Å; R60-D276 IonicContact NE-OD2 2.77Å; R60-D276 PolarHBondContact NE-OD2 3.29Å; R60-D276 IonicContact NH2-OD1 2.74Å; R60-D276 PolarHBondContact NH2-OD1 2.98Å; R60-D276 IonicContact NH2-OD2 2.82Å; R60-D276 PolarHBondContact NH2-OD2 3.47Å
61	K	96.2	Very high	96.6	Very high	106 Å²	106	35 Å²	35	46%	0.461	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	12.8	-179.1	-61.9	-177.1	-173.4	-170.9	0	114.1	R57 V58 W59 D63 T227 E281	R57-K61 WeakPolarHBondContact O-CG 3.48Å; R57-K61 PolarHBondContact O-N 3.27Å; V58-K61 CarbonylContact O-C 3.59Å; V58-K61 PolarHBondContact O-N 3.47Å; W59-K61 PolarHBondContact O-N 3.21Å; K61-D63 PolarHBondContact O-N 3.15Å; K61-T227 WeakPolarHBondContact O-CB 3.32Å; K61-T227 PolarHBondContact O-OG1 3.23Å; K61-E281 VanDerWaalsContact CE-CD 3.44Å; K61-E281 WeakPolarHBondContact CE-OE1 3.27Å; K61-E281 WeakPolarHBondContact CE-OE2 3.39Å; K61-E281 IonicContact NZ-OE1 3.69Å; K61-E281 IonicContact NZ-OE2 2.58Å; K61-E281 PolarHBondContact NZ-OE2 2.83Å
62	A	97.8	Very high	97	Very high	6 Å²	6	31.5 Å²	31.5	5%	0.05	15%	0.147	C	C	.	.			trans	-66.4	121.8	-176.3	0	0	0	0	0	112.2	V58 W59 V65 T153 T227 V229	V58-A62 PolarHBondContact O-N 2.97Å; V58-A62 VanDerWaalsContact O-N 3.13Å; W59-A62 WeakPolarHBondContact O-CB 2.86Å; W59-A62 PolarHBondContact O-N 3.49Å; A62-V65 HydrophobicContact CB-CG2 3.97Å; A62-T153 HydrophobicContact CB-CG2 4.42Å; A62-T153 WeakPolarHBondContact O-CG2 3.44Å; A62-T153 PolarHBondContact O-OG1 3.1Å; A62-T153 VanDerWaalsContact O-OG1 3.06Å; A62-T227 HydrophobicContact CB-CG2 4.5Å; A62-V229 HydrophobicContact CB-CG2 3.75Å
63	D	98	Very high	97.2	Very high	62 Å²	62	28.6 Å²	28.6	33%	0.332	13%	0.134	S	C	.	.	S	Bend	trans	-75.1	-36	170	-54.9	-45.8	0	0	0	110.2	K61 H154 Y225 K226 T227	K61-D63 PolarHBondContact O-N 3.15Å; D63-H154 PolarHBondContact O-N 3.41Å; D63-Y225 HydrophobicContact CB-CD1 3.64Å; D63-Y225 HydrophobicContact CB-CE1 4.42Å; D63-Y225 HydrophobicContact CB-CG 4.31Å; D63-K226 WeakPolarHBondContact OD2-CA 3.48Å; D63-K226 WeakPolarHBondContact OD2-CB 3.35Å; D63-K226 PolarHBondContact OD2-N 3.12Å; D63-T227 PolarHBondContact N-O 2.88Å; D63-T227 PolarHBondContact OD2-N 3.32Å
64	A	98.6	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.2	175.3	0	0	0	0	0	112.6	H154 Y156 Y225 T227 V228 V229	A64-H154 CarbonylContact C-O 3.55Å; A64-H154 WeakPolarHBondContact CA-O 3.44Å; A64-H154 HydrophobicContact CB-CB 4.23Å; A64-H154 WeakPolarHBondContact CB-O 3.47Å; A64-Y156 HydrophobicContact CB-CD2 4.22Å; A64-Y156 HydrophobicContact CB-CE2 3.99Å; A64-Y225 HydrophobicContact CB-CD1 4.16Å; A64-Y225 HydrophobicContact CB-CD2 3.83Å; A64-Y225 HydrophobicContact CB-CE1 4.1Å; A64-Y225 HydrophobicContact CB-CE2 3.76Å; A64-Y225 HydrophobicContact CB-CG 4.05Å; A64-T227 PolarHBondContact N-O 2.91Å; A64-V228 HydrophobicContact CB-CG1 4.48Å; A64-V228 HydrophobicContact CB-CG2 4.32Å; A64-V228 WeakPolarHBondContact O-CA 3.33Å; A64-V229 PolarHBondContact O-N 3.39Å
65	V	98.8	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.6	174	-177.6	0	0	0	0	109	W59 A62 F67 L148 T153 H154 V155 Y156 V229 V231	W59-V65 HydrophobicContact CE3-CG2 4.36Å; W59-V65 HydrophobicContact CH2-CG1 4.48Å; W59-V65 HydrophobicContact CH2-CG2 4.36Å; W59-V65 HydrophobicContact CZ3-CB 4.46Å; W59-V65 HydrophobicContact CZ3-CG1 3.86Å; W59-V65 HydrophobicContact CZ3-CG2 3.68Å; A62-V65 HydrophobicContact CB-CG2 3.97Å; V65-F67 HydrophobicContact CB-CE2 4.05Å; V65-F67 HydrophobicContact CG1-CD2 3.8Å; V65-F67 HydrophobicContact CG1-CE1 4.37Å; V65-F67 HydrophobicContact CG1-CE2 3.32Å; V65-F67 HydrophobicContact CG1-CG 4.5Å; V65-F67 HydrophobicContact CG1-CZ 3.65Å; V65-L148 HydrophobicContact CB-CD1 4.33Å; V65-L148 HydrophobicContact CG2-CD1 4.24Å; V65-L148 HydrophobicContact CG2-CD2 4Å; V65-T153 HydrophobicContact CG2-CG2 3.8Å; V65-H154 PolarHBondContact N-O 3.36Å; V65-V155 WeakPolarHBondContact O-CA 3.38Å; V65-Y156 PolarHBondContact O-N 3.28Å; V65-V229 WeakPolarHBondContact CA-O 3.35Å; V65-V229 HydrophobicContact CG2-CB 4.46Å; V65-V231 HydrophobicContact CG1-CG2 3.9Å
66	C	98.8	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.1	172.1	-63.3	0	0	0	0	108.7	Y156 V158 I216 V229 M230 V231	C66-Y156 WeakPolarHBondContact CA-O 3.34Å; C66-V158 HydrophobicContact CB-CG2 3.87Å; C66-I216 HydrophobicContact CB-CD1 4.49Å; C66-V229 PolarHBondContact N-O 3.47Å; C66-M230 HydrophobicContact CB-SD 3.64Å; C66-M230 WeakPolarHBondContact O-CA 3.35Å; C66-M230 VanDerWaalsContact O-SD 3.39Å; C66-V231 PolarHBondContact O-N 3.25Å
67	F	98.8	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.9	172.8	-71.4	-87.8	0	0	0	110.5	V65 T72 V73 I141 L144 L148 V155 Y156 L157 V158 V231 F270	V65-F67 HydrophobicContact CB-CE2 4.05Å; V65-F67 HydrophobicContact CG1-CD2 3.8Å; V65-F67 HydrophobicContact CG1-CE1 4.37Å; V65-F67 HydrophobicContact CG1-CE2 3.32Å; V65-F67 HydrophobicContact CG1-CG 4.5Å; V65-F67 HydrophobicContact CG1-CZ 3.65Å; F67-T72 HydrophobicContact CD1-CG2 4.49Å; F67-V73 HydrophobicContact CB-CG2 3.6Å; F67-V73 HydrophobicContact CD1-CG2 4.31Å; F67-V73 HydrophobicContact CG-CG2 4.09Å; F67-I141 HydrophobicContact CD1-CD1 4.24Å; F67-I141 HydrophobicContact CE1-CD1 4Å; F67-I141 HydrophobicContact CZ-CD1 4.32Å; F67-L144 HydrophobicContact CE1-CD2 4.02Å; F67-L144 HydrophobicContact CZ-CD2 3.84Å; F67-L144 HydrophobicContact CZ-CG 4.34Å; F67-L148 HydrophobicContact CE2-CD1 3.76Å; F67-L148 HydrophobicContact CZ-CD1 3.9Å; F67-V155 HydrophobicContact CD2-CG1 3.74Å; F67-V155 HydrophobicContact CE2-CG1 3.88Å; F67-Y156 PolarHBondContact N-O 3.33Å; F67-L157 HydrophobicContact CB-CD2 4.18Å; F67-V158 PolarHBondContact O-N 3.12Å; F67-V231 WeakPolarHBondContact CA-O 3.45Å; F67-V231 HydrophobicContact CD1-CB 3.61Å; F67-V231 HydrophobicContact CD1-CG1 3.9Å; F67-V231 HydrophobicContact CD1-CG2 4.17Å; F67-V231 HydrophobicContact CE1-CB 3.73Å; F67-V231 HydrophobicContact CE1-CG1 3.84Å; F67-V231 HydrophobicContact CE1-CG2 3.85Å; F67-V231 HydrophobicContact CG-CB 4.44Å; F67-V231 HydrophobicContact CZ-CG2 4.35Å; F67-F270 HydrophobicContact CD1-CE1 4.48Å; F67-F270 HydrophobicContact CE1-CE1 4.06Å
68	D	98.5	Very high	97	Very high	11 Å²	11	23.5 Å²	23.5	6%	0.059	12%	0.122	C	C	.	.			trans	-64.3	155.5	156.2	-164.6	17.5	0	0	0	111.1	T72 V73 K212 M230 V231 D237	D68-T72 HydrophobicContact CB-CG2 4.18Å; D68-T72 WeakPolarHBondContact O-CB 3.47Å; D68-T72 WeakPolarHBondContact O-CG2 3.34Å; D68-V73 WeakPolarHBondContact O-CG2 3.38Å; D68-V73 PolarHBondContact O-N 2.83Å; D68-K212 IonicContact OD1-NZ 3.79Å; D68-K212 PolarHBondContact OD1-NZ 3.23Å; D68-K212 IonicContact OD2-NZ 3.61Å; D68-K212 PolarHBondContact OD2-NZ 2.95Å; D68-M230 HydrophobicContact CB-CE 4.25Å; D68-V231 PolarHBondContact N-O 3.03Å; D68-D237 WeakPolarHBondContact CB-OD1 3.48Å
69	V	98.1	Very high	96.8	Very high	4 Å²	4	22 Å²	22	2%	0.024	11%	0.112	C	C	.	.	I	π-helix	trans	-98.6	-65.9	-179.9	-177.3	0	0	0	0	111.3	T72 V73 C74 L157 I166	V69-T72 PolarHBondContact O-N 2.87Å; V69-V73 PolarHBondContact O-N 3.36Å; V69-C74 PolarHBondContact O-N 3.06Å; V69-L157 HydrophobicContact CG2-CB 3.9Å; V69-L157 HydrophobicContact CG2-CD1 4.39Å; V69-L157 HydrophobicContact CG2-CD2 4.34Å; V69-L157 HydrophobicContact CG2-CG 4.44Å; V69-I166 HydrophobicContact CB-CG1 4.49Å; V69-I166 HydrophobicContact CG1-CG1 4.21Å; V69-I166 HydrophobicContact CG2-CD1 4.16Å; V69-I166 HydrophobicContact CG2-CG1 4.19Å; V69-I166 HydrophobicContact CG2-CG2 3.99Å
70	D	96.1	Very high	96.6	Very high	19 Å²	19	25 Å²	25	10%	0.102	13%	0.128	C	C	.	.	I	π-helix	trans	-66.4	137.2	-175.3	-58.1	-63.2	0	0	0	109.7	T72 E77 G78 S159	D70-T72 PolarHBondContact O-N 3.35Å; D70-E77 WeakPolarHBondContact CB-OE2 3.32Å; D70-G78 PolarHBondContact OD1-N 2.77Å; D70-S159 PolarHBondContact OD2-OG 3.42Å
71	S	96.2	Very high	96.5	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.028	14%	0.14	C	C	.	.	I	π-helix	trans	56.9	4.7	-175.1	-64.4	0	0	0	0	116.4	C74 E77 D233 N253	S71-C74 CarbonylContact C-O 3.54Å; S71-C74 VanDerWaalsContact CA-O 3.31Å; S71-C74 WeakPolarHBondContact CA-O 3.43Å; S71-C74 PolarHBondContact N-O 2.89Å; S71-C74 VanDerWaalsContact N-O 3.17Å; S71-E77 PolarHBondContact OG-OE1 3.33Å; S71-D233 VanDerWaalsContact CB-CG 3.5Å; S71-D233 WeakPolarHBondContact CB-OD1 3.12Å; S71-D233 WeakPolarHBondContact CB-OD2 3Å; S71-N253 WeakPolarHBondContact O-CB 3.45Å; S71-N253 PolarHBondContact O-ND2 3.19Å
72	T	98.2	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-124	-78.6	-179.9	-65	0	0	0	0	111.7	F67 D68 V69 D70 C74 T138 G232 D233 F250 F270	F67-T72 HydrophobicContact CD1-CG2 4.49Å; D68-T72 HydrophobicContact CB-CG2 4.18Å; D68-T72 WeakPolarHBondContact O-CB 3.47Å; D68-T72 WeakPolarHBondContact O-CG2 3.34Å; V69-T72 PolarHBondContact O-N 2.87Å; D70-T72 PolarHBondContact O-N 3.35Å; T72-C74 PolarHBondContact N-O 3.29Å; T72-T138 VanDerWaalsContact O-CB 3.28Å; T72-T138 WeakPolarHBondContact O-CB 3.47Å; T72-T138 PolarHBondContact O-OG1 2.98Å; T72-G232 WeakPolarHBondContact OG1-CA 3.45Å; T72-D233 PolarHBondContact OG1-N 3.32Å; T72-D233 VanDerWaalsContact OG1-N 3.17Å; T72-D233 PolarHBondContact OG1-OD1 2.93Å; T72-F250 HydrophobicContact CG2-CB 4.39Å; T72-F250 HydrophobicContact CG2-CD1 4.27Å; T72-F250 HydrophobicContact CG2-CG 4.47Å; T72-F270 HydrophobicContact CG2-CZ 4.04Å; T72-F270 WeakPolarHBondContact O-CE2 2.97Å; T72-F270 WeakPolarHBondContact O-CZ 3.29Å
73	V	98.4	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-71.1	-36.9	175.5	167.4	0	0	0	0	111	F67 D68 V69 L137 T138 I141 L157 V169 L173	F67-V73 HydrophobicContact CB-CG2 3.6Å; F67-V73 HydrophobicContact CD1-CG2 4.31Å; F67-V73 HydrophobicContact CG-CG2 4.09Å; D68-V73 WeakPolarHBondContact O-CG2 3.38Å; D68-V73 PolarHBondContact O-N 2.83Å; V69-V73 PolarHBondContact O-N 3.36Å; V73-L137 HydrophobicContact CG1-CD2 4.18Å; V73-T138 PolarHBondContact O-N 2.94Å; V73-T138 PolarHBondContact O-OG1 2.85Å; V73-I141 HydrophobicContact CB-CG1 4.37Å; V73-I141 HydrophobicContact CG1-CG1 4.13Å; V73-I141 HydrophobicContact CG2-CD1 4.16Å; V73-I141 HydrophobicContact CG2-CG1 4.07Å; V73-L157 HydrophobicContact CG2-CD2 4Å; V73-V169 HydrophobicContact CG1-CG1 3.47Å; V73-V169 VanDerWaalsContact CG1-CG1 3.47Å; V73-L173 HydrophobicContact CG1-CD1 3.58Å
74	C	97.7	Very high	96.3	Very high	11 Å²	11	21.9 Å²	21.9	7%	0.074	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-105.6	149.7	172.3	-63.9	0	0	0	0	110.3	V69 S71 T72 D76 K136 V169 N253	V69-C74 PolarHBondContact O-N 3.06Å; S71-C74 CarbonylContact C-O 3.54Å; S71-C74 VanDerWaalsContact CA-O 3.31Å; S71-C74 WeakPolarHBondContact CA-O 3.43Å; S71-C74 PolarHBondContact N-O 2.89Å; S71-C74 VanDerWaalsContact N-O 3.17Å; T72-C74 PolarHBondContact N-O 3.29Å; C74-D76 VanDerWaalsContact C-N 3.34Å; C74-K136 CarbonylContact C-O 3.52Å; C74-K136 VanDerWaalsContact CA-O 3.32Å; C74-K136 WeakPolarHBondContact CA-O 3.33Å; C74-V169 VanDerWaalsContact SG-CG2 3.54Å; C74-N253 PolarHBondContact O-ND2 3.1Å
75	Q	96.9	Very high	96.1	Very high	83 Å²	83	25.9 Å²	25.9	39%	0.388	14%	0.139	S	C	.	.	S	Bend	trans	-75.7	-28.1	176.2	-57.5	-178.9	23	0	0	112.1	K136 L137 N253	Q75-K136 HydrophobicContact CB-CB 4.29Å; Q75-K136 HydrophobicContact CG-CB 4.47Å; Q75-K136 PolarHBondContact N-O 3.08Å; Q75-L137 PolarHBondContact NE2-O 2.85Å; Q75-N253 WeakPolarHBondContact CG-OD1 3.24Å
76	D	92.2	Very high	96	Very high	42 Å²	42	27.4 Å²	27.4	23%	0.225	15%	0.148	C	C	.	.	S	Bend	trans	-100.8	167.5	-175.5	-47.6	-46.6	0	0	0	111.7	C74 E81 K136	C74-D76 VanDerWaalsContact C-N 3.34Å; D76-E81 HydrophobicContact CB-CG 3.88Å; D76-K136 IonicContact OD1-NZ 2.75Å; D76-K136 PolarHBondContact OD1-NZ 3.37Å; D76-K136 WeakPolarHBondContact OD2-CB 3.39Å; D76-K136 WeakPolarHBondContact OD2-CD 3.39Å; D76-K136 WeakPolarHBondContact OD2-CE 3.4Å; D76-K136 WeakPolarHBondContact OD2-CG 3.47Å; D76-K136 IonicContact OD2-NZ 3.09Å; D76-K136 PolarHBondContact OD2-NZ 2.94Å
77	E	92.8	Very high	95.9	Very high	56 Å²	56	30.7 Å²	30.7	26%	0.262	18%	0.181	S	C	.	.			trans	-101.6	110.6	173.9	-67.7	-87.8	175.2	0	0	109.2	D70 S71 I79 D80 E81 R256	D70-E77 WeakPolarHBondContact CB-OE2 3.32Å; S71-E77 PolarHBondContact OG-OE1 3.33Å; E77-I79 VanDerWaalsContact C-N 3.3Å; E77-I79 PolarHBondContact O-N 3.21Å; E77-I79 VanDerWaalsContact O-N 3.17Å; E77-D80 HydrophobicContact CB-CB 4.13Å; E77-D80 PolarHBondContact O-N 3.13Å; E77-E81 PolarHBondContact O-N 3.24Å; E77-E81 VanDerWaalsContact O-N 3.07Å; E77-R256 IonicContact OE1-NH2 3.59Å
78	G	93.1	Very high	95.8	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-33.3	-166.5	0	0	0	0	0	114.9	D70 L82	D70-G78 PolarHBondContact OD1-N 2.77Å; G78-L82 WeakPolarHBondContact O-CB 3.46Å; G78-L82 PolarHBondContact O-N 2.91Å
79	I	92.7	Very high	95.6	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-71.2	-33	176.3	-179.2	167.1	0	0	0	112.4	E77 A83 L112 R115 M119 F162	E77-I79 VanDerWaalsContact C-N 3.3Å; E77-I79 PolarHBondContact O-N 3.21Å; E77-I79 VanDerWaalsContact O-N 3.17Å; I79-A83 WeakPolarHBondContact O-CB 3.46Å; I79-A83 PolarHBondContact O-N 3.34Å; I79-L112 HydrophobicContact CD1-CD1 4.15Å; I79-R115 HydrophobicContact CD1-CB 4.02Å; I79-M119 HydrophobicContact CD1-SD 4.23Å; I79-M119 HydrophobicContact CG1-CE 4.14Å; I79-M119 HydrophobicContact CG1-SD 3.76Å; I79-F162 HydrophobicContact CB-CE2 4.41Å; I79-F162 HydrophobicContact CD1-CE2 3.9Å; I79-F162 HydrophobicContact CD1-CZ 4.37Å; I79-F162 HydrophobicContact CG1-CE2 4.27Å
80	D	93.5	Very high	95.4	Very high	63 Å²	63	40.5 Å²	40.5	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-76.2	-37.6	179	-67.3	-17.5	0	0	0	110.3	E77 A83 A84 R115	E77-D80 HydrophobicContact CB-CB 4.13Å; E77-D80 PolarHBondContact O-N 3.13Å; D80-A83 PolarHBondContact O-N 3.41Å; D80-A84 WeakPolarHBondContact O-CB 3.46Å; D80-A84 PolarHBondContact O-N 2.86Å; D80-R115 IonicContact OD1-CZ 2.64Å; D80-R115 IonicContact OD1-NH2 2.66Å; D80-R115 PolarHBondContact OD1-NH2 2.95Å; D80-R115 IonicContact OD2-NH2 2.79Å
81	E	94.7	Very high	95.3	Very high	80 Å²	80	41.7 Å²	41.7	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-43.3	170.7	-67.1	-66.5	128	0	0	111.7	D76 E77 A83 A84 Y85 F129	D76-E81 HydrophobicContact CB-CG 3.88Å; E77-E81 PolarHBondContact O-N 3.24Å; E77-E81 VanDerWaalsContact O-N 3.07Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.48Å; E81-A84 PolarHBondContact O-N 3.14Å; E81-Y85 WeakPolarHBondContact O-CB 3.44Å; E81-Y85 PolarHBondContact O-N 2.64Å; E81-F129 HydrophobicContact CB-CE2 4.3Å; E81-F129 HydrophobicContact CB-CZ 3.69Å
82	L	95.6	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-39.8	174.4	179.3	61.6	0	0	0	111.3	G78 Y85 L86 M119 P121 L126 F129 L165	G78-L82 WeakPolarHBondContact O-CB 3.46Å; G78-L82 PolarHBondContact O-N 2.91Å; L82-Y85 HydrophobicContact CD1-CD1 4.34Å; L82-Y85 PolarHBondContact O-N 2.98Å; L82-L86 HydrophobicContact CD1-CD1 4.21Å; L82-L86 HydrophobicContact CD1-CG 4.32Å; L82-L86 HydrophobicContact CG-CD1 4.09Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.27Å; L82-M119 HydrophobicContact CB-CE 3.75Å; L82-M119 HydrophobicContact CD2-CE 3.52Å; L82-M119 HydrophobicContact CG-CE 3.42Å; L82-M119 VanDerWaalsContact CG-CE 3.42Å; L82-P121 HydrophobicContact CD2-CB 4.49Å; L82-P121 HydrophobicContact CD2-CG 4.48Å; L82-L126 HydrophobicContact CD1-CD1 4.34Å; L82-L126 HydrophobicContact CD2-CD1 3.93Å; L82-F129 HydrophobicContact CB-CD1 4.3Å; L82-F129 HydrophobicContact CB-CE1 4.07Å; L82-F129 HydrophobicContact CB-CZ 4.36Å; L82-F129 HydrophobicContact CD1-CB 3.94Å; L82-F129 HydrophobicContact CD1-CD1 3.76Å; L82-F129 HydrophobicContact CD1-CD2 4.39Å; L82-F129 HydrophobicContact CD1-CE1 4.38Å; L82-F129 HydrophobicContact CD1-CG 3.76Å; L82-L165 HydrophobicContact CD2-CD1 4.5Å
83	A	96	Very high	94.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-39.7	176.8	0	0	0	0	0	112.2	I79 D80 E81 L86 G87 V88 G89 V92 M119	I79-A83 WeakPolarHBondContact O-CB 3.46Å; I79-A83 PolarHBondContact O-N 3.34Å; D80-A83 PolarHBondContact O-N 3.41Å; E81-A83 VanDerWaalsContact C-N 3.33Å; E81-A83 PolarHBondContact O-N 3.48Å; A83-L86 PolarHBondContact O-N 2.85Å; A83-G87 PolarHBondContact O-N 3.45Å; A83-V88 HydrophobicContact CB-CG2 4.32Å; A83-V88 CarbonylContact O-C 3.55Å; A83-V88 WeakPolarHBondContact O-CG2 3.41Å; A83-V88 PolarHBondContact O-N 2.94Å; A83-G89 PolarHBondContact O-N 3.32Å; A83-G89 VanDerWaalsContact O-N 3.1Å; A83-V92 HydrophobicContact CB-CB 3.86Å; A83-V92 HydrophobicContact CB-CG1 4.14Å; A83-V92 HydrophobicContact CB-CG2 3.62Å; A83-M119 HydrophobicContact CB-CE 4.09Å; A83-M119 HydrophobicContact CB-CG 4.22Å; A83-M119 HydrophobicContact CB-SD 4.11Å
84	A	95.5	Very high	94.5	Very high	61 Å²	61	46.9 Å²	46.9	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-45	174.4	0	0	0	0	0	111.3	D80 E81 L86 G87	D80-A84 WeakPolarHBondContact O-CB 3.46Å; D80-A84 PolarHBondContact O-N 2.86Å; E81-A84 PolarHBondContact O-N 3.14Å; A84-L86 VanDerWaalsContact C-N 3.29Å; A84-L86 PolarHBondContact O-N 2.87Å; A84-G87 PolarHBondContact O-N 3.26Å
85	Y	95.8	Very high	94.1	Very high	83 Å²	83	48 Å²	48	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-39.2	175.5	172.8	-104.7	0	0	0	112.9	E81 L82 G87 Q128 F129 I132	E81-Y85 WeakPolarHBondContact O-CB 3.44Å; E81-Y85 PolarHBondContact O-N 2.64Å; L82-Y85 HydrophobicContact CD1-CD1 4.34Å; L82-Y85 PolarHBondContact O-N 2.98Å; Y85-G87 PolarHBondContact O-N 3.13Å; Y85-Q128 PolarHBondContact OH-OE1 2.95Å; Y85-F129 HydrophobicContact CD1-CB 3.77Å; Y85-F129 AromaticContact CD1-CD2 3.82Å; Y85-F129 HydrophobicContact CD1-CD2 3.82Å; Y85-F129 HydrophobicContact CD1-CG 4.14Å; Y85-F129 HydrophobicContact CD2-CD2 4.02Å; Y85-F129 HydrophobicContact CE1-CB 3.83Å; Y85-F129 HydrophobicContact CG-CB 4.28Å; Y85-F129 AromaticContact CG-CD2 3.5Å; Y85-F129 HydrophobicContact CG-CD2 3.5Å; Y85-F129 HydrophobicContact CG-CE2 4.29Å; Y85-F129 HydrophobicContact CG-CG 4.28Å; Y85-I132 HydrophobicContact CD2-CD1 4.03Å; Y85-I132 HydrophobicContact CE2-CD1 3.48Å; Y85-I132 VanDerWaalsContact CE2-CD1 3.48Å
86	L	96.5	Very high	93.5	Very high	33 Å²	33	45.4 Å²	45.4	17%	0.173	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.8	177	-65.6	171.3	0	0	0	113.7	L82 A83 A84 V88 M119 P121 Q125	L82-L86 HydrophobicContact CD1-CD1 4.21Å; L82-L86 HydrophobicContact CD1-CG 4.32Å; L82-L86 HydrophobicContact CG-CD1 4.09Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.27Å; A83-L86 PolarHBondContact O-N 2.85Å; A84-L86 VanDerWaalsContact C-N 3.29Å; A84-L86 PolarHBondContact O-N 2.87Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 HydrophobicContact CB-CG2 3.93Å; L86-V88 PolarHBondContact O-N 3.21Å; L86-M119 HydrophobicContact CD1-CB 3.96Å; L86-M119 HydrophobicContact CD1-CE 4.1Å; L86-P121 HydrophobicContact CD1-CB 4.02Å; L86-Q125 HydrophobicContact CD2-CB 3.96Å; L86-Q125 HydrophobicContact CD2-CG 4.12Å
87	G	96.3	Very high	93.2	Very high	68 Å²	68	50.5 Å²	50.5	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	17.4	-178.7	0	0	0	0	0	114.5	A83 A84 Y85	A83-G87 PolarHBondContact O-N 3.45Å; A84-G87 PolarHBondContact O-N 3.26Å; Y85-G87 PolarHBondContact O-N 3.13Å
88	V	96.5	Very high	92.8	Very high	40 Å²	40	52.6 Å²	52.6	24%	0.242	31%	0.31	C	S	.	.			trans	-120	15.8	-176.7	-62	0	0	0	0	113.3	A83 L86 E90 A91 V92 V118 M119	A83-V88 HydrophobicContact CB-CG2 4.32Å; A83-V88 CarbonylContact O-C 3.55Å; A83-V88 WeakPolarHBondContact O-CG2 3.41Å; A83-V88 PolarHBondContact O-N 2.94Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 HydrophobicContact CB-CG2 3.93Å; L86-V88 PolarHBondContact O-N 3.21Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 3.26Å; V88-A91 PolarHBondContact O-N 3.38Å; V88-V92 HydrophobicContact CG2-CG2 4.2Å; V88-V92 PolarHBondContact O-N 3.12Å; V88-V118 HydrophobicContact CB-CG1 4.36Å; V88-M119 HydrophobicContact CG2-CB 4.46Å; V88-M119 HydrophobicContact CG2-CG 4Å
89	G	94.8	Very high	92.1	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-52.5	-44.5	-177.1	0	0	0	0	0	113.7	A83 A91 V92 A93	A83-G89 PolarHBondContact O-N 3.32Å; A83-G89 VanDerWaalsContact O-N 3.1Å; G89-A91 PolarHBondContact O-N 2.86Å; G89-V92 PolarHBondContact O-N 2.81Å; G89-A93 WeakPolarHBondContact O-CB 3.36Å; G89-A93 PolarHBondContact O-N 3.28Å
90	E	94.4	Very high	90.9	Very high	157 Å²	157	58.7 Å²	58.7	73%	0.734	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-42.2	177.9	-170.8	-176.1	174.4	0	0	112.3	V88 V92 A93 N94	V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 3.26Å; E90-V92 PolarHBondContact O-N 3.25Å; E90-A93 PolarHBondContact O-N 3.22Å; E90-N94 WeakPolarHBondContact O-CB 3.47Å; E90-N94 VanDerWaalsContact O-CG 3.26Å; E90-N94 PolarHBondContact O-N 3.01Å; E90-N94 PolarHBondContact O-ND2 3.28Å
91	A	93.7	Very high	89.6	Confident	44 Å²	44	62.1 Å²	62.1	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-41	178.9	0	0	0	0	0	111.4	V88 G89 N94 V95 V118	V88-A91 PolarHBondContact O-N 3.38Å; G89-A91 PolarHBondContact O-N 2.86Å; A91-N94 PolarHBondContact O-N 3.44Å; A91-V95 PolarHBondContact O-N 2.88Å; A91-V95 VanDerWaalsContact O-N 3.11Å; A91-V118 HydrophobicContact CB-CG1 3.54Å
92	V	93.2	Very high	87.7	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.3	-45.4	174.9	174	0	0	0	0	111	A83 V88 G89 E90 N94 V95 T96 R115 V118 M119	A83-V92 HydrophobicContact CB-CB 3.86Å; A83-V92 HydrophobicContact CB-CG1 4.14Å; A83-V92 HydrophobicContact CB-CG2 3.62Å; V88-V92 HydrophobicContact CG2-CG2 4.2Å; V88-V92 PolarHBondContact O-N 3.12Å; G89-V92 PolarHBondContact O-N 2.81Å; E90-V92 PolarHBondContact O-N 3.25Å; V92-N94 VanDerWaalsContact C-N 3.26Å; V92-N94 PolarHBondContact O-N 3.12Å; V92-V95 PolarHBondContact O-N 2.87Å; V92-V95 VanDerWaalsContact O-N 3.15Å; V92-T96 PolarHBondContact O-N 2.66Å; V92-T96 PolarHBondContact O-OG1 2.72Å; V92-T96 VanDerWaalsContact O-OG1 3.05Å; V92-R115 HydrophobicContact CG1-CB 4.24Å; V92-R115 HydrophobicContact CG1-CG 4.11Å; V92-V118 HydrophobicContact CG2-CB 4.31Å; V92-V118 HydrophobicContact CG2-CG1 3.92Å; V92-M119 HydrophobicContact CG2-CG 3.4Å; V92-M119 HydrophobicContact CG2-SD 3.93Å
93	A	90.7	Very high	85.6	Confident	41 Å²	41	66.4 Å²	66.4	34%	0.339	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-38.1	177	0	0	0	0	0	112.2	G89 E90 T96 R97	G89-A93 WeakPolarHBondContact O-CB 3.36Å; G89-A93 PolarHBondContact O-N 3.28Å; E90-A93 PolarHBondContact O-N 3.22Å; A93-T96 PolarHBondContact O-N 2.69Å; A93-R97 WeakPolarHBondContact O-CB 3.12Å; A93-R97 PolarHBondContact O-N 3.11Å
94	N	90.9	Very high	83.5	Confident	71 Å²	71	71.9 Å²	71.9	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-66.9	-41.1	176.3	-73	-23.2	0	0	0	112.5	E90 A91 V92 T98	E90-N94 WeakPolarHBondContact O-CB 3.47Å; E90-N94 VanDerWaalsContact O-CG 3.26Å; E90-N94 PolarHBondContact O-N 3.01Å; E90-N94 PolarHBondContact O-ND2 3.28Å; A91-N94 PolarHBondContact O-N 3.44Å; V92-N94 VanDerWaalsContact C-N 3.26Å; V92-N94 PolarHBondContact O-N 3.12Å; N94-T98 WeakPolarHBondContact O-CB 3.41Å; N94-T98 PolarHBondContact O-N 2.77Å; N94-T98 PolarHBondContact O-OG1 3.27Å
95	V	89.6	Confident	81.6	Confident	34 Å²	34	79.4 Å²	79.4	21%	0.206	45%	0.451	C	S	.	.	H	α-helix	trans	-64.5	-45.7	173.7	171.3	0	0	0	0	110.9	A91 V92 R97 T98 A99 A114 R115 V118	A91-V95 PolarHBondContact O-N 2.88Å; A91-V95 VanDerWaalsContact O-N 3.11Å; V92-V95 PolarHBondContact O-N 2.87Å; V92-V95 VanDerWaalsContact O-N 3.15Å; V95-R97 VanDerWaalsContact C-N 3.35Å; V95-R97 PolarHBondContact O-N 2.79Å; V95-T98 PolarHBondContact O-N 3.15Å; V95-T98 VanDerWaalsContact O-N 3.17Å; V95-A99 WeakPolarHBondContact O-CB 3.4Å; V95-A99 PolarHBondContact O-N 3.49Å; V95-A114 HydrophobicContact CG1-CB 3.5Å; V95-R115 HydrophobicContact CG1-CG 4.15Å; V95-V118 HydrophobicContact CG2-CG2 3.78Å
96	T	85.6	Confident	80.1	Confident	30 Å²	30	80.2 Å²	80.2	18%	0.184	46%	0.456	C	S	.	.	H	α-helix	trans	-57.2	-47.5	177.2	-59.6	0	0	0	0	111.1	V92 A93 T98 A99 M100 R115	V92-T96 PolarHBondContact O-N 2.66Å; V92-T96 PolarHBondContact O-OG1 2.72Å; V92-T96 VanDerWaalsContact O-OG1 3.05Å; A93-T96 PolarHBondContact O-N 2.69Å; T96-T98 VanDerWaalsContact C-N 3.32Å; T96-T98 PolarHBondContact O-N 3.43Å; T96-A99 PolarHBondContact O-N 3.28Å; T96-M100 HydrophobicContact CG2-CG 4.35Å; T96-M100 HydrophobicContact CG2-SD 3.65Å; T96-M100 WeakPolarHBondContact O-CB 3.21Å; T96-M100 VanDerWaalsContact O-CG 3.28Å; T96-M100 WeakPolarHBondContact O-CG 3.27Å; T96-M100 PolarHBondContact O-N 3.34Å; T96-R115 WeakPolarHBondContact OG1-CD 3.37Å; T96-R115 PolarHBondContact OG1-NE 3.36Å
97	R	85.4	Confident	79.4	Confident	149 Å²	149	85.4 Å²	85.4	56%	0.562	47%	0.473	S	S	*	.	H	α-helix	trans	-61	-40.6	177.5	-163.9	-169.2	-38.6	-99.3	-1.5	112.3	A93 V95 N101	A93-R97 WeakPolarHBondContact O-CB 3.12Å; A93-R97 PolarHBondContact O-N 3.11Å; V95-R97 VanDerWaalsContact C-N 3.35Å; V95-R97 PolarHBondContact O-N 2.79Å; R97-N101 VanDerWaalsContact O-CB 3.22Å; R97-N101 WeakPolarHBondContact O-CB 3.17Å; R97-N101 VanDerWaalsContact O-CG 3.32Å; R97-N101 PolarHBondContact O-N 2.72Å; R97-N101 PolarHBondContact O-ND2 3.15Å
98	T	83.7	Confident	78.8	Confident	99 Å²	99	85.6 Å²	85.6	61%	0.607	45%	0.454	S	S	*	.	H	α-helix	trans	-69.3	-40.4	179.1	-55.6	0	0	0	0	111.6	N94 V95 T96 G102	N94-T98 WeakPolarHBondContact O-CB 3.41Å; N94-T98 PolarHBondContact O-N 2.77Å; N94-T98 PolarHBondContact O-OG1 3.27Å; V95-T98 PolarHBondContact O-N 3.15Å; V95-T98 VanDerWaalsContact O-N 3.17Å; T96-T98 VanDerWaalsContact C-N 3.32Å; T96-T98 PolarHBondContact O-N 3.43Å; T98-G102 WeakPolarHBondContact O-CA 3.48Å; T98-G102 PolarHBondContact O-N 3.13Å
99	A	78.1	Confident	78.4	Confident	13 Å²	13	87.2 Å²	87.2	11%	0.107	46%	0.455	C	S	.	.	H	α-helix	trans	-67.5	-40.5	177.1	0	0	0	0	0	112	V95 T96 F106 A111	V95-A99 WeakPolarHBondContact O-CB 3.4Å; V95-A99 PolarHBondContact O-N 3.49Å; T96-A99 PolarHBondContact O-N 3.28Å; A99-F106 HydrophobicContact CB-CD1 3.7Å; A99-F106 HydrophobicContact CB-CE1 3.92Å; A99-F106 HydrophobicContact CB-CG 4.36Å; A99-A111 HydrophobicContact CB-CB 3.71Å
100	M	68.8	Low	78.2	Confident	142 Å²	142	89.3 Å²	89.3	70%	0.7	46%	0.461	S	S	*	.	H	α-helix	trans	-77.1	-34.3	-179.4	-68.3	177.5	72.5	0	0	113.9	T96	T96-M100 HydrophobicContact CG2-CG 4.35Å; T96-M100 HydrophobicContact CG2-SD 3.65Å; T96-M100 WeakPolarHBondContact O-CB 3.21Å; T96-M100 VanDerWaalsContact O-CG 3.28Å; T96-M100 WeakPolarHBondContact O-CG 3.27Å; T96-M100 PolarHBondContact O-N 3.34Å
101	N	66	Low	77.9	Confident	135 Å²	135	82.9 Å²	82.9	72%	0.722	43%	0.434	S	S	*	.	H	α-helix	trans	-85.9	-12.9	175.7	-69.2	-21.3	0	0	0	112.8	R97	R97-N101 VanDerWaalsContact O-CB 3.22Å; R97-N101 WeakPolarHBondContact O-CB 3.17Å; R97-N101 VanDerWaalsContact O-CG 3.32Å; R97-N101 PolarHBondContact O-N 2.72Å; R97-N101 PolarHBondContact O-ND2 3.15Å
102	G	55	Low	77.8	Confident	36 Å²	36	81.1 Å²	81.1	37%	0.371	42%	0.419	S	S	.	.	S	Bend	trans	-69.6	143.7	179.5	0	0	0	0	0	111.4	T98	T98-G102 WeakPolarHBondContact O-CA 3.48Å; T98-G102 PolarHBondContact O-N 3.13Å
103	N	50.9	Low	77.8	Confident	133 Å²	133	82.7 Å²	82.7	71%	0.711	43%	0.432	S	S	*	.			trans	-36.1	148.2	171	-81.2	-35.9	0	0	0	112	R105 F106	N103-R105 PolarHBondContact O-N 3.13Å; N103-F106 PolarHBondContact O-N 2.92Å; N103-F106 VanDerWaalsContact O-N 3.14Å
104	A	52.3	Low	77.9	Confident	115 Å²	115	82 Å²	82	95%	0.95	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	6.2	177.8	0	0	0	0	0	117.4
105	R	56.4	Low	78.1	Confident	220 Å²	220	80.5 Å²	80.5	83%	0.83	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19	171.4	-62.1	-174.6	-165.3	168	4.4	114.4	N103 R107	N103-R105 PolarHBondContact O-N 3.13Å; R105-R107 PolarHBondContact O-N 2.84Å
106	F	64.2	Low	78.3	Confident	100 Å²	100	78.9 Å²	78.9	44%	0.439	41%	0.406	S	S	.	.			trans	-79.6	103.9	178.5	-133.4	-90.9	0	0	0	109.3	A99 N103 D110 A111	A99-F106 HydrophobicContact CB-CD1 3.7Å; A99-F106 HydrophobicContact CB-CE1 3.92Å; A99-F106 HydrophobicContact CB-CG 4.36Å; N103-F106 PolarHBondContact O-N 2.92Å; N103-F106 VanDerWaalsContact O-N 3.14Å; F106-D110 HydrophobicContact CD1-CB 3.86Å; F106-D110 HydrophobicContact CE1-CB 3.66Å; F106-D110 HydrophobicContact CZ-CB 4.18Å; F106-A111 HydrophobicContact CD1-CB 4.01Å; F106-A111 HydrophobicContact CE1-CB 4.19Å; F106-A111 VanDerWaalsContact CE1-N 3.34Å
107	R	81.5	Confident	78.7	Confident	142 Å²	142	82.4 Å²	82.4	54%	0.536	42%	0.42	S	S	.	.			trans	-71.6	155.8	177.9	-61	179.4	64.3	176.5	2.9	109.6	R105 R109 D110 A111 D204	R105-R107 PolarHBondContact O-N 2.84Å; R107-R109 PolarHBondContact O-N 2.77Å; R107-D110 WeakPolarHBondContact CB-OD2 3.46Å; R107-D110 PolarHBondContact N-OD2 2.89Å; R107-D110 WeakPolarHBondContact O-CB 3.31Å; R107-D110 PolarHBondContact O-N 2.91Å; R107-A111 PolarHBondContact O-N 3.37Å; R107-A111 VanDerWaalsContact O-N 3.1Å; R107-D204 IonicContact CZ-OD2 2.69Å; R107-D204 IonicContact NE-OD2 2.72Å; R107-D204 IonicContact NH2-OD2 2.72Å; R107-D204 PolarHBondContact NH2-OD2 2.78Å
108	Y	83.7	Confident	79.2	Confident	72 Å²	72	77.9 Å²	77.9	28%	0.282	41%	0.408	S	S	.	.	H	α-helix	trans	-53.1	-45.5	176.3	177.8	-85.9	0	0	0	111.7	D110 A111 L112 G160 S205	Y108-D110 VanDerWaalsContact C-N 3.3Å; Y108-D110 PolarHBondContact O-N 2.92Å; Y108-A111 WeakPolarHBondContact O-CB 3.31Å; Y108-A111 PolarHBondContact O-N 2.83Å; Y108-A111 VanDerWaalsContact O-N 3.15Å; Y108-L112 HydrophobicContact CE1-CD2 4.33Å; Y108-L112 PolarHBondContact O-N 2.94Å; Y108-G160 WeakPolarHBondContact OH-CA 3.46Å; Y108-G160 PolarHBondContact OH-O 2.72Å; Y108-S205 WeakPolarHBondContact CB-OG 3.41Å; Y108-S205 WeakPolarHBondContact CD2-OG 3.21Å; Y108-S205 VanDerWaalsContact CG-OG 3.29Å
109	R	88.7	Confident	79.8	Confident	73 Å²	73	73.7 Å²	73.7	28%	0.275	38%	0.382	S	S	.	.	H	α-helix	trans	-54.6	-43.4	175.1	-175.9	176	-71.1	-172.3	-8.5	113.4	R107 A111 L112 A113 F196 T198 S203 D204	R107-R109 PolarHBondContact O-N 2.77Å; R109-A111 VanDerWaalsContact C-N 3.33Å; R109-L112 PolarHBondContact O-N 2.79Å; R109-A113 WeakPolarHBondContact O-CB 3.47Å; R109-A113 PolarHBondContact O-N 3.17Å; R109-F196 HydrophobicContact CG-CZ 3.93Å; R109-T198 PolarHBondContact NH2-O 3.26Å; R109-S203 WeakPolarHBondContact CB-O 3.49Å; R109-S203 PolarHBondContact NE-O 3.06Å; R109-S203 PolarHBondContact NH2-OG 3.47Å; R109-D204 HydrophobicContact CB-CB 4.45Å; R109-D204 PolarHBondContact N-OD1 3.08Å
110	D	88.9	Confident	80.6	Confident	70 Å²	70	78.1 Å²	78.1	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-38.4	-179.2	-58.3	-39.2	0	0	0	110.6	F106 R107 Y108 A113 A114	F106-D110 HydrophobicContact CD1-CB 3.86Å; F106-D110 HydrophobicContact CE1-CB 3.66Å; F106-D110 HydrophobicContact CZ-CB 4.18Å; R107-D110 WeakPolarHBondContact CB-OD2 3.46Å; R107-D110 PolarHBondContact N-OD2 2.89Å; R107-D110 WeakPolarHBondContact O-CB 3.31Å; R107-D110 PolarHBondContact O-N 2.91Å; Y108-D110 VanDerWaalsContact C-N 3.3Å; Y108-D110 PolarHBondContact O-N 2.92Å; D110-A113 PolarHBondContact O-N 2.89Å; D110-A114 WeakPolarHBondContact O-CB 3.39Å; D110-A114 PolarHBondContact O-N 2.87Å
111	A	88.7	Confident	81.9	Confident	22 Å²	22	71.4 Å²	71.4	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-62.5	-46.1	175.4	0	0	0	0	0	111.6	A99 F106 R107 Y108 R109 A114 R115	A99-A111 HydrophobicContact CB-CB 3.71Å; F106-A111 HydrophobicContact CD1-CB 4.01Å; F106-A111 HydrophobicContact CE1-CB 4.19Å; F106-A111 VanDerWaalsContact CE1-N 3.34Å; R107-A111 PolarHBondContact O-N 3.37Å; R107-A111 VanDerWaalsContact O-N 3.1Å; Y108-A111 WeakPolarHBondContact O-CB 3.31Å; Y108-A111 PolarHBondContact O-N 2.83Å; Y108-A111 VanDerWaalsContact O-N 3.15Å; R109-A111 VanDerWaalsContact C-N 3.33Å; A111-A114 PolarHBondContact O-N 3.05Å; A111-R115 WeakPolarHBondContact O-CG 3.47Å; A111-R115 PolarHBondContact O-N 3.21Å; A111-R115 VanDerWaalsContact O-N 3.08Å
112	L	91.9	Very high	83.3	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-46.1	177.5	-174.9	61	0	0	0	111.6	I79 Y108 R109 A114 R115 L116 F162 N183 F196	I79-L112 HydrophobicContact CD1-CD1 4.15Å; Y108-L112 HydrophobicContact CE1-CD2 4.33Å; Y108-L112 PolarHBondContact O-N 2.94Å; R109-L112 PolarHBondContact O-N 2.79Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 2.96Å; L112-R115 PolarHBondContact O-N 2.64Å; L112-L116 HydrophobicContact CG-CD1 4.4Å; L112-L116 PolarHBondContact O-N 3Å; L112-F162 HydrophobicContact CD1-CE1 4.39Å; L112-F162 HydrophobicContact CD1-CZ 3.72Å; L112-F162 HydrophobicContact CG-CZ 4.46Å; L112-N183 WeakPolarHBondContact CD2-ND2 3.24Å; L112-F196 HydrophobicContact CD2-CD2 4.16Å; L112-F196 HydrophobicContact CD2-CE2 3.82Å; L112-F196 HydrophobicContact CD2-CZ 4.19Å; L112-F196 HydrophobicContact CG-CZ 4.43Å
113	A	93.2	Very high	85.3	Confident	33 Å²	33	69.5 Å²	69.5	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-43.4	176.8	0	0	0	0	0	111.8	R109 D110 L116 Q117 F196	R109-A113 WeakPolarHBondContact O-CB 3.47Å; R109-A113 PolarHBondContact O-N 3.17Å; D110-A113 PolarHBondContact O-N 2.89Å; A113-L116 PolarHBondContact O-N 3.06Å; A113-Q117 VanDerWaalsContact O-CB 3.24Å; A113-Q117 WeakPolarHBondContact O-CB 3.2Å; A113-Q117 PolarHBondContact O-N 2.91Å; A113-F196 HydrophobicContact CB-CE1 3.85Å; A113-F196 HydrophobicContact CB-CZ 4.44Å
114	A	92.7	Very high	87.5	Confident	28 Å²	28	69 Å²	69	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-42.8	179.4	0	0	0	0	0	112.3	V95 D110 A111 L112 Q117 V118	V95-A114 HydrophobicContact CG1-CB 3.5Å; D110-A114 WeakPolarHBondContact O-CB 3.39Å; D110-A114 PolarHBondContact O-N 2.87Å; A111-A114 PolarHBondContact O-N 3.05Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 2.96Å; A114-Q117 PolarHBondContact O-N 3.33Å; A114-V118 PolarHBondContact O-N 3.12Å
115	R	94.1	Very high	89.6	Confident	39 Å²	39	66.5 Å²	66.5	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-48.3	175.8	-68.4	169	76.3	179.6	14.9	111.1	I79 D80 V92 V95 T96 A111 L112 Q117 V118 M119	I79-R115 HydrophobicContact CD1-CB 4.02Å; D80-R115 IonicContact OD1-CZ 2.64Å; D80-R115 IonicContact OD1-NH2 2.66Å; D80-R115 PolarHBondContact OD1-NH2 2.95Å; D80-R115 IonicContact OD2-NH2 2.79Å; V92-R115 HydrophobicContact CG1-CB 4.24Å; V92-R115 HydrophobicContact CG1-CG 4.11Å; V95-R115 HydrophobicContact CG1-CG 4.15Å; T96-R115 WeakPolarHBondContact OG1-CD 3.37Å; T96-R115 PolarHBondContact OG1-NE 3.36Å; A111-R115 WeakPolarHBondContact O-CG 3.47Å; A111-R115 PolarHBondContact O-N 3.21Å; A111-R115 VanDerWaalsContact O-N 3.08Å; L112-R115 PolarHBondContact O-N 2.64Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.12Å; R115-V118 PolarHBondContact O-N 3.12Å; R115-M119 WeakPolarHBondContact O-CG 3.4Å; R115-M119 PolarHBondContact O-N 3.23Å; R115-M119 VanDerWaalsContact O-N 3.1Å
116	L	95	Very high	91.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-35.1	177.7	-75.9	175.3	0	0	0	113.1	L112 A113 V118 M119 K120 F162 I185 Y193 F196	L112-L116 HydrophobicContact CG-CD1 4.4Å; L112-L116 PolarHBondContact O-N 3Å; A113-L116 PolarHBondContact O-N 3.06Å; L116-V118 VanDerWaalsContact C-N 3.26Å; L116-V118 PolarHBondContact O-N 3.24Å; L116-M119 PolarHBondContact O-N 3.27Å; L116-K120 PolarHBondContact O-N 3.42Å; L116-F162 HydrophobicContact CD1-CE1 3.86Å; L116-F162 HydrophobicContact CD1-CZ 3.64Å; L116-F162 HydrophobicContact CD2-CE1 4.2Å; L116-F162 HydrophobicContact CD2-CE2 3.83Å; L116-F162 HydrophobicContact CD2-CZ 3.43Å; L116-F162 VanDerWaalsContact CD2-CZ 3.43Å; L116-F162 HydrophobicContact CG-CE1 4.41Å; L116-F162 HydrophobicContact CG-CE2 4.48Å; L116-F162 HydrophobicContact CG-CZ 3.71Å; L116-I185 HydrophobicContact CD2-CD1 4.09Å; L116-I185 HydrophobicContact CD2-CG1 4.38Å; L116-Y193 HydrophobicContact CB-CE2 3.96Å; L116-Y193 WeakPolarHBondContact CB-OH 3.42Å; L116-Y193 HydrophobicContact CD1-CE2 4.22Å; L116-Y193 HydrophobicContact CD2-CE2 4.31Å; L116-Y193 HydrophobicContact CG-CE2 4.43Å; L116-F196 HydrophobicContact CD1-CB 3.86Å; L116-F196 HydrophobicContact CD1-CD1 3.59Å; L116-F196 HydrophobicContact CD1-CE1 4.37Å; L116-F196 HydrophobicContact CD1-CG 3.91Å
117	Q	94.5	Very high	93	Very high	104 Å²	104	53.7 Å²	53.7	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-68.4	-26.2	177.6	-176	62.6	5.9	0	0	112.7	A113 A114 R115 K120	A113-Q117 VanDerWaalsContact O-CB 3.24Å; A113-Q117 WeakPolarHBondContact O-CB 3.2Å; A113-Q117 PolarHBondContact O-N 2.91Å; A114-Q117 PolarHBondContact O-N 3.33Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.12Å; Q117-K120 WeakPolarHBondContact O-CE 3.46Å; Q117-K120 VanDerWaalsContact O-CG 3.32Å; Q117-K120 WeakPolarHBondContact O-CG 3.09Å
118	V	95	Very high	93.6	Very high	53 Å²	53	50.8 Å²	50.8	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-74.6	-42.5	169.6	171.1	0	0	0	0	110.7	V88 A91 V92 V95 A114 R115 L116	V88-V118 HydrophobicContact CB-CG1 4.36Å; A91-V118 HydrophobicContact CB-CG1 3.54Å; V92-V118 HydrophobicContact CG2-CB 4.31Å; V92-V118 HydrophobicContact CG2-CG1 3.92Å; V95-V118 HydrophobicContact CG2-CG2 3.78Å; A114-V118 PolarHBondContact O-N 3.12Å; R115-V118 PolarHBondContact O-N 3.12Å; L116-V118 VanDerWaalsContact C-N 3.26Å; L116-V118 PolarHBondContact O-N 3.24Å
119	M	96	Very high	94.2	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.054	24%	0.24	C	C	.	.	H	α-helix	trans	-73.9	-46.3	-175.3	-65.1	166.7	67	0	0	113.6	I79 L82 A83 L86 V88 V92 R115 L116 P121	I79-M119 HydrophobicContact CD1-SD 4.23Å; I79-M119 HydrophobicContact CG1-CE 4.14Å; I79-M119 HydrophobicContact CG1-SD 3.76Å; L82-M119 HydrophobicContact CB-CE 3.75Å; L82-M119 HydrophobicContact CD2-CE 3.52Å; L82-M119 HydrophobicContact CG-CE 3.42Å; L82-M119 VanDerWaalsContact CG-CE 3.42Å; A83-M119 HydrophobicContact CB-CE 4.09Å; A83-M119 HydrophobicContact CB-CG 4.22Å; A83-M119 HydrophobicContact CB-SD 4.11Å; L86-M119 HydrophobicContact CD1-CB 3.96Å; L86-M119 HydrophobicContact CD1-CE 4.1Å; V88-M119 HydrophobicContact CG2-CB 4.46Å; V88-M119 HydrophobicContact CG2-CG 4Å; V92-M119 HydrophobicContact CG2-CG 3.4Å; V92-M119 HydrophobicContact CG2-SD 3.93Å; R115-M119 WeakPolarHBondContact O-CG 3.4Å; R115-M119 PolarHBondContact O-N 3.23Å; R115-M119 VanDerWaalsContact O-N 3.1Å; L116-M119 PolarHBondContact O-N 3.27Å; M119-P121 VanDerWaalsContact C-N 3.3Å
120	K	95.5	Very high	94.5	Very high	107 Å²	107	45.6 Å²	45.6	47%	0.465	23%	0.233	S	C	.	.			trans	37.9	54.3	-172.2	-62.3	-176.1	176	177.7	0	113.1	L116 Q117 N122 Y193	L116-K120 PolarHBondContact O-N 3.42Å; Q117-K120 WeakPolarHBondContact O-CE 3.46Å; Q117-K120 VanDerWaalsContact O-CG 3.32Å; Q117-K120 WeakPolarHBondContact O-CG 3.09Å; K120-N122 PolarHBondContact O-N 3.31Å; K120-Y193 HydrophobicContact CB-CD1 4.22Å; K120-Y193 HydrophobicContact CB-CG 4.29Å; K120-Y193 HydrophobicContact CG-CD1 3.86Å; K120-Y193 HydrophobicContact CG-CE1 4.48Å; K120-Y193 HydrophobicContact CG-CG 4.42Å
121	P	95.8	Very high	94.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.			trans	-58.2	134	178.3	26.2	-32.8	0	0	0	109	L82 L86 M119 I185 F187 Y193	L82-P121 HydrophobicContact CD2-CB 4.49Å; L82-P121 HydrophobicContact CD2-CG 4.48Å; L86-P121 HydrophobicContact CD1-CB 4.02Å; M119-P121 VanDerWaalsContact C-N 3.3Å; P121-I185 HydrophobicContact CG-CD1 4.06Å; P121-F187 VanDerWaalsContact O-CE1 3.31Å; P121-F187 WeakPolarHBondContact O-CE1 3.47Å; P121-Y193 HydrophobicContact CG-CD2 4.5Å; P121-Y193 WeakPolarHBondContact O-CB 3.16Å
122	N	96.5	Very high	94.9	Very high	51 Å²	51	52.6 Å²	52.6	27%	0.273	27%	0.266	S	S	.	.			trans	-84.1	165.6	164.7	76.2	43.7	0	0	0	110	K120 E124 Q125 L126 G191	K120-N122 PolarHBondContact O-N 3.31Å; N122-E124 VanDerWaalsContact C-N 3.31Å; N122-E124 PolarHBondContact O-N 3.44Å; N122-E124 WeakPolarHBondContact OD1-CA 3.36Å; N122-E124 WeakPolarHBondContact OD1-CB 3.37Å; N122-E124 PolarHBondContact OD1-N 3.27Å; N122-Q125 VanDerWaalsContact CG-OE1 3.28Å; N122-Q125 VanDerWaalsContact ND2-CD 3.31Å; N122-Q125 PolarHBondContact ND2-OE1 2.91Å; N122-Q125 PolarHBondContact O-N 3.5Å; N122-Q125 WeakPolarHBondContact OD1-CG 3.45Å; N122-Q125 PolarHBondContact OD1-N 3.18Å; N122-L126 PolarHBondContact O-N 2.99Å; N122-L126 VanDerWaalsContact O-N 3.08Å; N122-G191 CarbonylContact C-O 3.35Å; N122-G191 VanDerWaalsContact CA-O 3.3Å; N122-G191 WeakPolarHBondContact CA-O 3.43Å; N122-G191 VanDerWaalsContact CB-O 3.29Å; N122-G191 WeakPolarHBondContact CB-O 3.35Å
123	H	96.6	Very high	94.7	Very high	80 Å²	80	54.3 Å²	54.3	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-41.8	-175.8	179.3	-82.3	0	0	0	111.8	L126 E127 F187 G191	H123-L126 PolarHBondContact O-N 3.45Å; H123-E127 WeakPolarHBondContact O-CG 3.49Å; H123-E127 PolarHBondContact O-N 3.14Å; H123-F187 HydrophobicContact CB-CD1 3.91Å; H123-F187 HydrophobicContact CB-CD2 4.13Å; H123-F187 HydrophobicContact CB-CE1 4.06Å; H123-F187 HydrophobicContact CB-CE2 4.27Å; H123-F187 HydrophobicContact CB-CG 3.94Å; H123-F187 HydrophobicContact CB-CZ 4.23Å; H123-F187 AromaticContact CD2-CD2 3.82Å; H123-F187 AromaticContact CD2-CE2 3.93Å; H123-G191 PolarHBondContact N-O 3.07Å
124	E	96.7	Very high	94.4	Very high	124 Å²	124	61.5 Å²	61.5	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-64.9	-43.4	179.7	-175.2	178.8	-174.4	0	0	111.9	N122 L126 E127 Q128	N122-E124 VanDerWaalsContact C-N 3.31Å; N122-E124 PolarHBondContact O-N 3.44Å; N122-E124 WeakPolarHBondContact OD1-CA 3.36Å; N122-E124 WeakPolarHBondContact OD1-CB 3.37Å; N122-E124 PolarHBondContact OD1-N 3.27Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-L126 PolarHBondContact O-N 3.43Å; E124-E127 PolarHBondContact O-N 2.59Å; E124-Q128 HydrophobicContact CG-CG 4.28Å; E124-Q128 VanDerWaalsContact O-CB 3.29Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 WeakPolarHBondContact O-CG 3.49Å; E124-Q128 PolarHBondContact O-N 2.97Å; E124-Q128 PolarHBondContact OE1-NE2 3.32Å; E124-Q128 VanDerWaalsContact OE1-NE2 3.11Å
125	Q	96.5	Very high	94.3	Very high	62 Å²	62	61.9 Å²	61.9	29%	0.29	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-41.9	176.5	-73.7	171	-40.4	0	0	111.8	L86 N122 F129	L86-Q125 HydrophobicContact CD2-CB 3.96Å; L86-Q125 HydrophobicContact CD2-CG 4.12Å; N122-Q125 VanDerWaalsContact CG-OE1 3.28Å; N122-Q125 VanDerWaalsContact ND2-CD 3.31Å; N122-Q125 PolarHBondContact ND2-OE1 2.91Å; N122-Q125 PolarHBondContact O-N 3.5Å; N122-Q125 WeakPolarHBondContact OD1-CG 3.45Å; N122-Q125 PolarHBondContact OD1-N 3.18Å; Q125-F129 VanDerWaalsContact O-CB 3.28Å; Q125-F129 WeakPolarHBondContact O-CB 3.48Å; Q125-F129 PolarHBondContact O-N 3.32Å
126	L	95.7	Very high	94.3	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-47.4	177.5	-178.8	61.2	0	0	0	111.1	L82 N122 H123 E124 F129 V130 R164 L165 I185 F187	L82-L126 HydrophobicContact CD1-CD1 4.34Å; L82-L126 HydrophobicContact CD2-CD1 3.93Å; N122-L126 PolarHBondContact O-N 2.99Å; N122-L126 VanDerWaalsContact O-N 3.08Å; H123-L126 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-L126 PolarHBondContact O-N 3.43Å; L126-F129 PolarHBondContact O-N 3.41Å; L126-V130 HydrophobicContact CD1-CG2 4.34Å; L126-V130 WeakPolarHBondContact O-CB 3.46Å; L126-V130 VanDerWaalsContact O-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.32Å; L126-V130 PolarHBondContact O-N 2.99Å; L126-R164 HydrophobicContact CD2-CB 3.9Å; L126-R164 HydrophobicContact CD2-CG 3.98Å; L126-R164 HydrophobicContact CG-CB 4.3Å; L126-L165 HydrophobicContact CD1-CD2 3.66Å; L126-L165 HydrophobicContact CD1-CG 4.43Å; L126-I185 HydrophobicContact CD2-CD1 4.16Å; L126-F187 HydrophobicContact CB-CZ 4.34Å; L126-F187 HydrophobicContact CD2-CE2 4.14Å; L126-F187 HydrophobicContact CD2-CZ 3.74Å
127	E	95.2	Very high	94.5	Very high	49 Å²	49	66.2 Å²	66.2	23%	0.229	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-39.4	178.6	-68.9	-67.5	143.9	0	0	111.9	H123 E124 V130 N131 R164	H123-E127 WeakPolarHBondContact O-CG 3.49Å; H123-E127 PolarHBondContact O-N 3.14Å; E124-E127 PolarHBondContact O-N 2.59Å; E127-V130 PolarHBondContact O-N 3.09Å; E127-N131 WeakPolarHBondContact O-CB 3.47Å; E127-N131 VanDerWaalsContact O-CG 3.24Å; E127-N131 PolarHBondContact O-N 2.96Å; E127-N131 PolarHBondContact O-ND2 3.29Å; E127-R164 IonicContact OE1-CZ 3.19Å; E127-R164 IonicContact OE1-NE 2.72Å; E127-R164 IonicContact OE1-NH1 2.85Å; E127-R164 PolarHBondContact OE1-NH1 2.95Å
128	Q	95.9	Very high	94.7	Very high	82 Å²	82	61.7 Å²	61.7	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-60.2	-48	172.8	-76.5	176.9	1	0	0	110.9	Y85 E124 V130 N131 I132	Y85-Q128 PolarHBondContact OH-OE1 2.95Å; E124-Q128 HydrophobicContact CG-CG 4.28Å; E124-Q128 VanDerWaalsContact O-CB 3.29Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 WeakPolarHBondContact O-CG 3.49Å; E124-Q128 PolarHBondContact O-N 2.97Å; E124-Q128 PolarHBondContact OE1-NE2 3.32Å; E124-Q128 VanDerWaalsContact OE1-NE2 3.11Å; Q128-V130 PolarHBondContact O-N 3.32Å; Q128-N131 PolarHBondContact O-N 3.4Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 WeakPolarHBondContact O-CG2 3.28Å; Q128-I132 PolarHBondContact O-N 3.44Å
129	F	95.7	Very high	94.8	Very high	15 Å²	15	64.8 Å²	64.8	7%	0.066	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-49.4	176.5	177.1	-105.3	0	0	0	111.6	E81 L82 Y85 Q125 L126 N131 I132 S133 L165	E81-F129 HydrophobicContact CB-CE2 4.3Å; E81-F129 HydrophobicContact CB-CZ 3.69Å; L82-F129 HydrophobicContact CB-CD1 4.3Å; L82-F129 HydrophobicContact CB-CE1 4.07Å; L82-F129 HydrophobicContact CB-CZ 4.36Å; L82-F129 HydrophobicContact CD1-CB 3.94Å; L82-F129 HydrophobicContact CD1-CD1 3.76Å; L82-F129 HydrophobicContact CD1-CD2 4.39Å; L82-F129 HydrophobicContact CD1-CE1 4.38Å; L82-F129 HydrophobicContact CD1-CG 3.76Å; Y85-F129 HydrophobicContact CD1-CB 3.77Å; Y85-F129 AromaticContact CD1-CD2 3.82Å; Y85-F129 HydrophobicContact CD1-CD2 3.82Å; Y85-F129 HydrophobicContact CD1-CG 4.14Å; Y85-F129 HydrophobicContact CD2-CD2 4.02Å; Y85-F129 HydrophobicContact CE1-CB 3.83Å; Y85-F129 HydrophobicContact CG-CB 4.28Å; Y85-F129 AromaticContact CG-CD2 3.5Å; Y85-F129 HydrophobicContact CG-CD2 3.5Å; Y85-F129 HydrophobicContact CG-CE2 4.29Å; Y85-F129 HydrophobicContact CG-CG 4.28Å; Q125-F129 VanDerWaalsContact O-CB 3.28Å; Q125-F129 WeakPolarHBondContact O-CB 3.48Å; Q125-F129 PolarHBondContact O-N 3.32Å; L126-F129 PolarHBondContact O-N 3.41Å; F129-N131 VanDerWaalsContact C-N 3.27Å; F129-N131 PolarHBondContact O-N 3.4Å; F129-I132 PolarHBondContact O-N 2.96Å; F129-S133 WeakPolarHBondContact O-CB 3.33Å; F129-S133 PolarHBondContact O-N 2.91Å; F129-S133 PolarHBondContact O-OG 3.3Å; F129-L165 HydrophobicContact CD1-CD2 3.66Å; F129-L165 HydrophobicContact CE1-CD2 3.69Å
130	V	94.2	Very high	94.9	Very high	21 Å²	21	64.8 Å²	64.8	13%	0.127	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-36.2	179.4	170.1	0	0	0	0	112	L126 E127 Q128 R164 L165 P168	L126-V130 HydrophobicContact CD1-CG2 4.34Å; L126-V130 WeakPolarHBondContact O-CB 3.46Å; L126-V130 VanDerWaalsContact O-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.32Å; L126-V130 PolarHBondContact O-N 2.99Å; E127-V130 PolarHBondContact O-N 3.09Å; Q128-V130 PolarHBondContact O-N 3.32Å; V130-R164 WeakPolarHBondContact CG2-O 2.92Å; V130-L165 HydrophobicContact CG2-CD2 3.75Å; V130-P168 HydrophobicContact CG1-CG 3.65Å
131	N	92.5	Very high	95	Very high	126 Å²	126	59.7 Å²	59.7	67%	0.674	30%	0.304	S	S	*	.	H	α-helix	trans	-75.9	-33.3	-179.6	-75.2	-43.1	0	0	0	113.7	E127 Q128 F129	E127-N131 WeakPolarHBondContact O-CB 3.47Å; E127-N131 VanDerWaalsContact O-CG 3.24Å; E127-N131 PolarHBondContact O-N 2.96Å; E127-N131 PolarHBondContact O-ND2 3.29Å; Q128-N131 PolarHBondContact O-N 3.4Å; F129-N131 VanDerWaalsContact C-N 3.27Å; F129-N131 PolarHBondContact O-N 3.4Å
132	I	92.9	Very high	95.1	Very high	113 Å²	113	65.3 Å²	65.3	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-91.2	-30.1	-179.3	71	-179.3	0	0	0	112.8	Y85 Q128 F129	Y85-I132 HydrophobicContact CD2-CD1 4.03Å; Y85-I132 HydrophobicContact CE2-CD1 3.48Å; Y85-I132 VanDerWaalsContact CE2-CD1 3.48Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 WeakPolarHBondContact O-CG2 3.28Å; Q128-I132 PolarHBondContact O-N 3.44Å; F129-I132 PolarHBondContact O-N 2.96Å
133	S	88.1	Confident	95.2	Very high	41 Å²	41	67.7 Å²	67.7	29%	0.287	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-78.1	129.3	-179.4	61.7	0	0	0	0	109.6	F129	F129-S133 WeakPolarHBondContact O-CB 3.33Å; F129-S133 PolarHBondContact O-N 2.91Å; F129-S133 PolarHBondContact O-OG 3.3Å
134	K	87.6	Confident	95.3	Very high	185 Å²	185	63.9 Å²	63.9	80%	0.804	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-100.4	123.4	171.2	-69.4	-174.4	180	-178.6	0	107.8	K136	K134-K136 PolarHBondContact O-N 2.58Å
135	P	89.7	Confident	95.4	Very high	35 Å²	35	58 Å²	58	23%	0.227	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-58.5	127.8	176	-22.7	31.2	0	0	0	111.5	L137 P168 V169 L172	P135-L137 PolarHBondContact O-N 2.77Å; P135-L137 VanDerWaalsContact O-N 3.14Å; P135-P168 HydrophobicContact CG-CB 3.88Å; P135-V169 HydrophobicContact CB-CG2 3.69Å; P135-V169 HydrophobicContact CG-CG2 3.76Å; P135-L172 HydrophobicContact CB-CD1 4.35Å; P135-L172 HydrophobicContact CG-CD1 4.11Å
136	K	95.5	Very high	95.5	Very high	98 Å²	98	58.7 Å²	58.7	43%	0.426	30%	0.301	S	S	.	.			trans	-82.1	88.8	172.2	-59.5	-166.3	-155.9	108.1	0	108.8	C74 Q75 D76 K134	C74-K136 CarbonylContact C-O 3.52Å; C74-K136 VanDerWaalsContact CA-O 3.32Å; C74-K136 WeakPolarHBondContact CA-O 3.33Å; Q75-K136 HydrophobicContact CB-CB 4.29Å; Q75-K136 HydrophobicContact CG-CB 4.47Å; Q75-K136 PolarHBondContact N-O 3.08Å; D76-K136 IonicContact OD1-NZ 2.75Å; D76-K136 PolarHBondContact OD1-NZ 3.37Å; D76-K136 WeakPolarHBondContact OD2-CB 3.39Å; D76-K136 WeakPolarHBondContact OD2-CD 3.39Å; D76-K136 WeakPolarHBondContact OD2-CE 3.4Å; D76-K136 WeakPolarHBondContact OD2-CG 3.47Å; D76-K136 IonicContact OD2-NZ 3.09Å; D76-K136 PolarHBondContact OD2-NZ 2.94Å; K134-K136 PolarHBondContact O-N 2.58Å
137	L	97.7	Very high	95.5	Very high	32 Å²	32	62.8 Å²	62.8	17%	0.168	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-61.8	137.7	176.1	-64.1	-179.7	0	0	0	110.6	V73 Q75 P135 I141 V169 L172 L173	V73-L137 HydrophobicContact CG1-CD2 4.18Å; Q75-L137 PolarHBondContact NE2-O 2.85Å; P135-L137 PolarHBondContact O-N 2.77Å; P135-L137 VanDerWaalsContact O-N 3.14Å; L137-I141 HydrophobicContact CB-CG2 3.87Å; L137-I141 HydrophobicContact CD2-CG2 4.37Å; L137-I141 HydrophobicContact CG-CG2 4.49Å; L137-V169 HydrophobicContact CD2-CG1 3.94Å; L137-L172 HydrophobicContact CD1-CB 4.21Å; L137-L172 HydrophobicContact CD1-CD1 4.42Å; L137-L173 HydrophobicContact CD1-CD2 3.99Å; L137-L173 HydrophobicContact CD2-CD1 4.41Å; L137-L173 HydrophobicContact CD2-CD2 4.43Å; L137-L173 HydrophobicContact CD2-CG 4.42Å
138	T	98.4	Very high	95.7	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.055	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.9	139	172.6	-56.1	0	0	0	0	110.2	T72 V73 G140 I141 F250 N253 F270	T72-T138 VanDerWaalsContact O-CB 3.28Å; T72-T138 WeakPolarHBondContact O-CB 3.47Å; T72-T138 PolarHBondContact O-OG1 2.98Å; V73-T138 PolarHBondContact O-N 2.94Å; V73-T138 PolarHBondContact O-OG1 2.85Å; T138-G140 PolarHBondContact O-N 3.17Å; T138-I141 WeakPolarHBondContact O-CB 3.08Å; T138-I141 WeakPolarHBondContact O-CG2 3.5Å; T138-I141 PolarHBondContact O-N 3.36Å; T138-F250 HydrophobicContact CG2-CE1 3.86Å; T138-F250 HydrophobicContact CG2-CZ 3.58Å; T138-N253 PolarHBondContact OG1-ND2 2.84Å; T138-F270 HydrophobicContact CG2-CD2 3.77Å; T138-F270 HydrophobicContact CG2-CE2 3.52Å
139	V	97.9	Very high	95.8	Very high	118 Å²	118	59.5 Å²	59.5	72%	0.715	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	131.8	-177.9	-179.8	0	0	0	0	110.4	I141	V139-I141 PolarHBondContact O-N 2.87Å
140	G	97.9	Very high	95.8	Very high	12 Å²	12	62.3 Å²	62.3	12%	0.124	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-12.5	179.2	0	0	0	0	0	115.8	T138 R142 E143 L144	T138-G140 PolarHBondContact O-N 3.17Å; G140-R142 VanDerWaalsContact C-N 3.33Å; G140-R142 PolarHBondContact O-N 2.88Å; G140-E143 VanDerWaalsContact C-OE2 3.3Å; G140-E143 VanDerWaalsContact CA-OE2 3.23Å; G140-E143 WeakPolarHBondContact CA-OE2 3.23Å; G140-E143 PolarHBondContact O-N 3Å; G140-L144 WeakPolarHBondContact O-CB 3.47Å; G140-L144 PolarHBondContact O-N 3.47Å
141	I	98.5	Very high	95.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-34.8	-176.7	-167.7	53.9	0	0	0	112.6	F67 V73 L137 T138 V139 L144 V145 L173 F270	F67-I141 HydrophobicContact CD1-CD1 4.24Å; F67-I141 HydrophobicContact CE1-CD1 4Å; F67-I141 HydrophobicContact CZ-CD1 4.32Å; V73-I141 HydrophobicContact CB-CG1 4.37Å; V73-I141 HydrophobicContact CG1-CG1 4.13Å; V73-I141 HydrophobicContact CG2-CD1 4.16Å; V73-I141 HydrophobicContact CG2-CG1 4.07Å; L137-I141 HydrophobicContact CB-CG2 3.87Å; L137-I141 HydrophobicContact CD2-CG2 4.37Å; L137-I141 HydrophobicContact CG-CG2 4.49Å; T138-I141 WeakPolarHBondContact O-CB 3.08Å; T138-I141 WeakPolarHBondContact O-CG2 3.5Å; T138-I141 PolarHBondContact O-N 3.36Å; V139-I141 PolarHBondContact O-N 2.87Å; I141-L144 HydrophobicContact CD1-CD2 4.25Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-V145 HydrophobicContact CD1-CG2 4.03Å; I141-V145 HydrophobicContact CG1-CG2 4.24Å; I141-V145 WeakPolarHBondContact O-CB 3.39Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.25Å; I141-V145 PolarHBondContact O-N 2.89Å; I141-L173 HydrophobicContact CG2-CD2 4.21Å; I141-F270 HydrophobicContact CB-CD2 3.8Å; I141-F270 HydrophobicContact CB-CE2 3.91Å; I141-F270 HydrophobicContact CD1-CD1 4.29Å; I141-F270 HydrophobicContact CD1-CD2 4.1Å; I141-F270 HydrophobicContact CD1-CE1 4.08Å; I141-F270 HydrophobicContact CD1-CE2 3.86Å; I141-F270 HydrophobicContact CD1-CG 4.31Å; I141-F270 HydrophobicContact CD1-CZ 3.86Å; I141-F270 HydrophobicContact CG1-CD2 4.43Å; I141-F270 HydrophobicContact CG1-CE2 4.19Å
142	R	98	Very high	96.1	Very high	118 Å²	118	62.5 Å²	62.5	45%	0.445	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-45.7	179.5	179.9	-178.1	-70.7	-81.4	-5.2	110.5	G140 S146 L172 L173	G140-R142 VanDerWaalsContact C-N 3.33Å; G140-R142 PolarHBondContact O-N 2.88Å; R142-S146 VanDerWaalsContact O-CB 3.29Å; R142-S146 WeakPolarHBondContact O-CB 3.5Å; R142-S146 PolarHBondContact O-N 2.85Å; R142-L172 PolarHBondContact NH1-O 3.42Å; R142-L172 PolarHBondContact NH2-O 3.27Å; R142-L173 HydrophobicContact CB-CD2 4.3Å
143	E	98	Very high	96.4	Very high	100 Å²	100	57.6 Å²	57.6	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-67.3	-41	179.1	-63.4	73.1	-163.1	0	0	111	G140 R147	G140-E143 VanDerWaalsContact C-OE2 3.3Å; G140-E143 VanDerWaalsContact CA-OE2 3.23Å; G140-E143 WeakPolarHBondContact CA-OE2 3.23Å; G140-E143 PolarHBondContact O-N 3Å; E143-R147 WeakPolarHBondContact O-CB 3.27Å; E143-R147 PolarHBondContact O-N 2.93Å
144	L	98.5	Very high	96.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-51.5	175.5	173.8	57.8	0	0	0	112	W59 F67 G140 I141 S146 R147 L148 F270 L273 R274 L277	W59-L144 HydrophobicContact CH2-CD1 4.03Å; W59-L144 HydrophobicContact CZ2-CD1 3.76Å; F67-L144 HydrophobicContact CE1-CD2 4.02Å; F67-L144 HydrophobicContact CZ-CD2 3.84Å; F67-L144 HydrophobicContact CZ-CG 4.34Å; G140-L144 WeakPolarHBondContact O-CB 3.47Å; G140-L144 PolarHBondContact O-N 3.47Å; I141-L144 HydrophobicContact CD1-CD2 4.25Å; I141-L144 PolarHBondContact O-N 2.86Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.18Å; L144-R147 PolarHBondContact O-N 2.88Å; L144-R147 VanDerWaalsContact O-N 3.12Å; L144-L148 HydrophobicContact CD1-CD1 4.24Å; L144-L148 HydrophobicContact CD1-CG 4.29Å; L144-L148 HydrophobicContact CG-CD1 4.24Å; L144-L148 WeakPolarHBondContact O-CG 3.09Å; L144-L148 PolarHBondContact O-N 3.39Å; L144-F270 HydrophobicContact CB-CB 4.49Å; L144-F270 HydrophobicContact CD2-CB 4.07Å; L144-F270 HydrophobicContact CD2-CD1 3.49Å; L144-F270 VanDerWaalsContact CD2-CD1 3.49Å; L144-F270 HydrophobicContact CD2-CE1 4.22Å; L144-F270 HydrophobicContact CD2-CG 4.03Å; L144-L273 HydrophobicContact CD1-CB 4.1Å; L144-L273 HydrophobicContact CD2-CB 4.07Å; L144-L273 HydrophobicContact CD2-CD1 4.07Å; L144-R274 HydrophobicContact CB-CB 4.46Å; L144-R274 HydrophobicContact CD1-CB 4.17Å; L144-L277 HydrophobicContact CD1-CD1 3.93Å
145	V	98.5	Very high	97.4	Very high	1 Å²	1	50 Å²	50	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-40.7	179	171.7	0	0	0	0	111	I141 R147 L148 H149 V155 L173 I175	I141-V145 HydrophobicContact CD1-CG2 4.03Å; I141-V145 HydrophobicContact CG1-CG2 4.24Å; I141-V145 WeakPolarHBondContact O-CB 3.39Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.25Å; I141-V145 PolarHBondContact O-N 2.89Å; V145-R147 VanDerWaalsContact C-N 3.3Å; V145-R147 PolarHBondContact O-N 2.99Å; V145-L148 PolarHBondContact O-N 2.97Å; V145-H149 VanDerWaalsContact CG1-CE1 3.49Å; V145-H149 WeakPolarHBondContact CG1-CE1 3.47Å; V145-H149 PolarHBondContact O-N 3.14Å; V145-V155 HydrophobicContact CG1-CG1 4.44Å; V145-V155 HydrophobicContact CG1-CG2 4.37Å; V145-V155 HydrophobicContact CG2-CG1 4.32Å; V145-L173 HydrophobicContact CG1-CB 4.24Å; V145-L173 HydrophobicContact CG2-CD1 4.46Å; V145-I175 HydrophobicContact CG1-CD1 4.29Å; V145-I175 HydrophobicContact CG1-CG1 4.2Å
146	S	98	Very high	97.8	Very high	76 Å²	76	48.4 Å²	48.4	53%	0.531	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-41.4	174.2	-179.4	0	0	0	0	112	R142 L144 H149 A150	R142-S146 VanDerWaalsContact O-CB 3.29Å; R142-S146 WeakPolarHBondContact O-CB 3.5Å; R142-S146 PolarHBondContact O-N 2.85Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.18Å; S146-H149 PolarHBondContact O-N 2.98Å; S146-A150 WeakPolarHBondContact O-CB 3.22Å; S146-A150 PolarHBondContact O-N 3.26Å
147	R	97.8	Very high	98	Very high	88 Å²	88	43.7 Å²	43.7	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-67.9	-40.3	177.1	-173.9	55.5	171.9	150.3	-0.7	112.5	E143 L144 V145 A150 R151 R274 L277 D278	E143-R147 WeakPolarHBondContact O-CB 3.27Å; E143-R147 PolarHBondContact O-N 2.93Å; L144-R147 PolarHBondContact O-N 2.88Å; L144-R147 VanDerWaalsContact O-N 3.12Å; V145-R147 VanDerWaalsContact C-N 3.3Å; V145-R147 PolarHBondContact O-N 2.99Å; R147-A150 PolarHBondContact O-N 3.45Å; R147-R151 WeakPolarHBondContact O-CG 3.4Å; R147-R151 PolarHBondContact O-N 2.97Å; R147-R151 VanDerWaalsContact O-N 3.12Å; R147-R274 HydrophobicContact CB-CG 4.2Å; R147-R274 HydrophobicContact CG-CG 4.44Å; R147-L277 HydrophobicContact CB-CD1 4.49Å; R147-L277 HydrophobicContact CG-CB 4.37Å; R147-L277 HydrophobicContact CG-CD1 4.04Å; R147-D278 IonicContact CZ-OD1 3.44Å; R147-D278 IonicContact NE-OD1 3.66Å; R147-D278 PolarHBondContact NE-OD1 3.05Å; R147-D278 IonicContact NH2-OD1 2.64Å; R147-D278 PolarHBondContact NH2-OD1 3.11Å
148	L	98.1	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-46	174.2	-71.5	168.7	0	0	0	111.2	W59 V65 F67 L144 V145 A150 R151 G152 T153 V155 L277	W59-L148 HydrophobicContact CH2-CD1 4.14Å; W59-L148 HydrophobicContact CH2-CD2 4.01Å; W59-L148 HydrophobicContact CZ2-CD2 4.32Å; V65-L148 HydrophobicContact CB-CD1 4.33Å; V65-L148 HydrophobicContact CG2-CD1 4.24Å; V65-L148 HydrophobicContact CG2-CD2 4Å; F67-L148 HydrophobicContact CE2-CD1 3.76Å; F67-L148 HydrophobicContact CZ-CD1 3.9Å; L144-L148 HydrophobicContact CD1-CD1 4.24Å; L144-L148 HydrophobicContact CD1-CG 4.29Å; L144-L148 HydrophobicContact CG-CD1 4.24Å; L144-L148 WeakPolarHBondContact O-CG 3.09Å; L144-L148 PolarHBondContact O-N 3.39Å; V145-L148 PolarHBondContact O-N 2.97Å; L148-A150 VanDerWaalsContact C-N 3.34Å; L148-A150 PolarHBondContact O-N 2.9Å; L148-R151 PolarHBondContact O-N 3.21Å; L148-R151 VanDerWaalsContact O-N 3.12Å; L148-G152 PolarHBondContact O-N 2.99Å; L148-T153 HydrophobicContact CD2-CG2 3.98Å; L148-T153 WeakPolarHBondContact O-CB 3.28Å; L148-T153 PolarHBondContact O-N 3.38Å; L148-V155 HydrophobicContact CB-CG2 3.76Å; L148-V155 HydrophobicContact CD1-CG2 3.9Å; L148-V155 HydrophobicContact CG-CG2 4.48Å; L148-L277 HydrophobicContact CD2-CD1 3.64Å; L148-L277 HydrophobicContact CD2-CD2 4.33Å; L148-L277 HydrophobicContact CG-CD1 4.02Å
149	H	97.5	Very high	97.9	Very high	62 Å²	62	41.8 Å²	41.8	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-42.4	174.4	-69.6	168	0	0	0	112.4	V145 S146 R151 G152 G174	V145-H149 VanDerWaalsContact CG1-CE1 3.49Å; V145-H149 WeakPolarHBondContact CG1-CE1 3.47Å; V145-H149 PolarHBondContact O-N 3.14Å; S146-H149 PolarHBondContact O-N 2.98Å; H149-R151 PolarHBondContact O-N 2.88Å; H149-G152 PolarHBondContact O-N 3.22Å; H149-G174 PolarHBondContact CE1-O 3.4Å
150	A	97	Very high	97.7	Very high	74 Å²	74	36.9 Å²	36.9	61%	0.612	20%	0.203	S	C	*	.	H	α-helix	trans	-63	-24.6	177.2	0	0	0	0	0	113.3	S146 R147 L148 G152	S146-A150 WeakPolarHBondContact O-CB 3.22Å; S146-A150 PolarHBondContact O-N 3.26Å; R147-A150 PolarHBondContact O-N 3.45Å; L148-A150 VanDerWaalsContact C-N 3.34Å; L148-A150 PolarHBondContact O-N 2.9Å; A150-G152 VanDerWaalsContact C-N 3.35Å
151	R	96.3	Very high	97.5	Very high	94 Å²	94	36.6 Å²	36.6	36%	0.355	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3	174.2	-67.4	172.8	64.8	80.7	6.4	113.4	R60 R147 L148 H149 T153 L277	R60-R151 PolarHBondContact O-NH2 3.25Å; R147-R151 WeakPolarHBondContact O-CG 3.4Å; R147-R151 PolarHBondContact O-N 2.97Å; R147-R151 VanDerWaalsContact O-N 3.12Å; L148-R151 PolarHBondContact O-N 3.21Å; L148-R151 VanDerWaalsContact O-N 3.12Å; H149-R151 PolarHBondContact O-N 2.88Å; R151-T153 VanDerWaalsContact C-N 3.25Å; R151-T153 PolarHBondContact O-N 3.01Å; R151-L277 PolarHBondContact NH1-O 2.89Å
152	G	96.5	Very high	97.4	Very high	56 Å²	56	36.7 Å²	36.7	58%	0.577	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	8.6	-174.1	0	0	0	0	0	114.2	L148 H149 A150	L148-G152 PolarHBondContact O-N 2.99Å; H149-G152 PolarHBondContact O-N 3.22Å; A150-G152 VanDerWaalsContact C-N 3.35Å
153	T	97.9	Very high	97.3	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-73.2	130.7	177.1	-58.3	0	0	0	0	110.2	A62 V65 L148 R151	A62-T153 HydrophobicContact CB-CG2 4.42Å; A62-T153 WeakPolarHBondContact O-CG2 3.44Å; A62-T153 PolarHBondContact O-OG1 3.1Å; A62-T153 VanDerWaalsContact O-OG1 3.06Å; V65-T153 HydrophobicContact CG2-CG2 3.8Å; L148-T153 HydrophobicContact CD2-CG2 3.98Å; L148-T153 WeakPolarHBondContact O-CB 3.28Å; L148-T153 PolarHBondContact O-N 3.38Å; R151-T153 VanDerWaalsContact C-N 3.25Å; R151-T153 PolarHBondContact O-N 3.01Å
154	H	98.4	Very high	97.1	Very high	65 Å²	65	32.9 Å²	32.9	30%	0.301	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.3	178.2	-69.2	165.6	0	0	0	111.6	D63 A64 V65 Y156 R179 Y225	D63-H154 PolarHBondContact O-N 3.41Å; A64-H154 CarbonylContact C-O 3.55Å; A64-H154 WeakPolarHBondContact CA-O 3.44Å; A64-H154 HydrophobicContact CB-CB 4.23Å; A64-H154 WeakPolarHBondContact CB-O 3.47Å; V65-H154 PolarHBondContact N-O 3.36Å; H154-Y156 HydrophobicContact CB-CE2 3.81Å; H154-R179 PolarHBondContact CD2-NH2 3.31Å; H154-R179 PolarHBondContact NE2-NH2 2.84Å; H154-Y225 AromaticContact ND1-CE1 3.61Å; H154-Y225 AromaticContact ND1-CZ 3.56Å; H154-Y225 PolarHBondContact ND1-OH 3.12Å
155	V	98.8	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.4	179.4	-175.1	0	0	0	0	110.6	V65 F67 V145 L148 I175 R179	V65-V155 WeakPolarHBondContact O-CA 3.38Å; F67-V155 HydrophobicContact CD2-CG1 3.74Å; F67-V155 HydrophobicContact CE2-CG1 3.88Å; V145-V155 HydrophobicContact CG1-CG1 4.44Å; V145-V155 HydrophobicContact CG1-CG2 4.37Å; V145-V155 HydrophobicContact CG2-CG1 4.32Å; L148-V155 HydrophobicContact CB-CG2 3.76Å; L148-V155 HydrophobicContact CD1-CG2 3.9Å; L148-V155 HydrophobicContact CG-CG2 4.48Å; V155-I175 HydrophobicContact CB-CD1 4.35Å; V155-I175 HydrophobicContact CB-CG1 4.38Å; V155-I175 HydrophobicContact CG1-CD1 3.66Å; V155-I175 HydrophobicContact CG1-CG1 4.22Å; V155-R179 VanDerWaalsContact O-CD 3.27Å; V155-R179 WeakPolarHBondContact O-CD 3.31Å
156	Y	98.8	Very high	96.9	Very high	2 Å²	2	34 Å²	34	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.8	177.6	-67.8	-92.8	0	0	0	110.7	A64 V65 C66 F67 H154 R179 Y181 L219 Y223 Y225	A64-Y156 HydrophobicContact CB-CD2 4.22Å; A64-Y156 HydrophobicContact CB-CE2 3.99Å; V65-Y156 PolarHBondContact O-N 3.28Å; C66-Y156 WeakPolarHBondContact CA-O 3.34Å; F67-Y156 PolarHBondContact N-O 3.33Å; H154-Y156 HydrophobicContact CB-CE2 3.81Å; Y156-R179 WeakPolarHBondContact CA-O 3.32Å; Y156-R179 HydrophobicContact CD1-CB 3.51Å; Y156-R179 HydrophobicContact CD1-CG 3.94Å; Y156-R179 HydrophobicContact CE1-CB 3.76Å; Y156-R179 HydrophobicContact CE1-CG 3.64Å; Y156-R179 HydrophobicContact CG-CB 4.2Å; Y156-Y181 HydrophobicContact CD1-CD2 4.21Å; Y156-Y181 AromaticContact CD1-CE2 3.77Å; Y156-Y181 HydrophobicContact CD1-CE2 3.77Å; Y156-Y181 HydrophobicContact CE1-CE2 4.03Å; Y156-L219 HydrophobicContact CD1-CD1 3.83Å; Y156-L219 HydrophobicContact CD1-CD2 3.91Å; Y156-L219 HydrophobicContact CD2-CD1 3.98Å; Y156-L219 HydrophobicContact CE1-CD1 4.06Å; Y156-L219 HydrophobicContact CE1-CD2 3.37Å; Y156-L219 HydrophobicContact CE1-CG 4.37Å; Y156-L219 HydrophobicContact CE2-CD1 4.19Å; Y156-L219 HydrophobicContact CE2-CD2 4.33Å; Y156-L219 HydrophobicContact CG-CD1 3.78Å; Y156-Y223 WeakPolarHBondContact OH-CD2 3.33Å; Y156-Y223 VanDerWaalsContact OH-CE2 3.29Å; Y156-Y223 WeakPolarHBondContact OH-CE2 3.26Å; Y156-Y225 AromaticContact CE2-CE2 3.9Å; Y156-Y225 HydrophobicContact CE2-CE2 3.9Å; Y156-Y225 PolarHBondContact OH-OH 3.37Å
157	L	98.7	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.6	168.9	-60.5	-177	0	0	0	108.4	F67 V69 V73 I166 V169 A170 I175 R179 I180 Y181	F67-L157 HydrophobicContact CB-CD2 4.18Å; V69-L157 HydrophobicContact CG2-CB 3.9Å; V69-L157 HydrophobicContact CG2-CD1 4.39Å; V69-L157 HydrophobicContact CG2-CD2 4.34Å; V69-L157 HydrophobicContact CG2-CG 4.44Å; V73-L157 HydrophobicContact CG2-CD2 4Å; L157-I166 HydrophobicContact CB-CG2 4.11Å; L157-I166 HydrophobicContact CD1-CG2 3.5Å; L157-I166 HydrophobicContact CG-CG2 4.46Å; L157-V169 HydrophobicContact CD1-CG1 4.19Å; L157-A170 HydrophobicContact CD1-CB 4Å; L157-I175 HydrophobicContact CD1-CD1 4.19Å; L157-I175 HydrophobicContact CD2-CD1 3.88Å; L157-I175 HydrophobicContact CG-CD1 3.9Å; L157-R179 PolarHBondContact N-O 2.87Å; L157-I180 WeakPolarHBondContact O-CA 3.43Å; L157-Y181 PolarHBondContact O-N 2.87Å
158	V	98.3	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	104.8	-177.2	-169.6	0	0	0	0	108.9	C66 F67 Y181 T202 K212 V215	C66-V158 HydrophobicContact CB-CG2 3.87Å; F67-V158 PolarHBondContact O-N 3.12Å; V158-Y181 CarbonylContact C-O 3.16Å; V158-Y181 WeakPolarHBondContact CA-O 3.49Å; V158-T202 HydrophobicContact CG1-CG2 4.23Å; V158-K212 HydrophobicContact CG1-CB 4.26Å; V158-K212 HydrophobicContact CG1-CG 3.96Å; V158-K212 WeakPolarHBondContact O-CE 3.29Å; V158-V215 HydrophobicContact CG1-CB 3.89Å; V158-V215 HydrophobicContact CG1-CG1 3.83Å; V158-V215 HydrophobicContact CG1-CG2 3.96Å; V158-V215 HydrophobicContact CG2-CG1 3.79Å
159	S	96.4	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.4	-170.9	166.3	0	0	0	0	112.6	D70 G161 Y181 A182 T202	D70-S159 PolarHBondContact OD2-OG 3.42Å; S159-G161 WeakPolarHBondContact OG-CA 3.41Å; S159-G161 PolarHBondContact OG-N 3.29Å; S159-Y181 PolarHBondContact N-O 2.72Å; S159-A182 WeakPolarHBondContact O-CA 3.38Å; S159-T202 WeakPolarHBondContact O-CB 3.41Å; S159-T202 WeakPolarHBondContact O-CG2 3.38Å; S159-T202 PolarHBondContact O-OG1 3.44Å
160	G	93.1	Very high	96.7	Very high	15 Å²	15	26.6 Å²	26.6	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-8	168.1	0	0	0	0	0	113.9	Y108 N183	Y108-G160 WeakPolarHBondContact OH-CA 3.46Å; Y108-G160 PolarHBondContact OH-O 2.72Å; G160-N183 PolarHBondContact O-ND2 3.35Å
161	G	94	Very high	96.7	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-162.1	172.8	0	0	0	0	0	112.9	S159 N183	S159-G161 WeakPolarHBondContact OG-CA 3.41Å; S159-G161 PolarHBondContact OG-N 3.29Å; G161-N183 WeakPolarHBondContact O-CB 3.45Å; G161-N183 PolarHBondContact O-N 3.31Å
162	F	95.8	Very high	96.7	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.8	-172	-56.8	-71.1	0	0	0	113	I79 L112 L116 R164 L165 I166 N183 I185	I79-F162 HydrophobicContact CB-CE2 4.41Å; I79-F162 HydrophobicContact CD1-CE2 3.9Å; I79-F162 HydrophobicContact CD1-CZ 4.37Å; I79-F162 HydrophobicContact CG1-CE2 4.27Å; L112-F162 HydrophobicContact CD1-CE1 4.39Å; L112-F162 HydrophobicContact CD1-CZ 3.72Å; L112-F162 HydrophobicContact CG-CZ 4.46Å; L116-F162 HydrophobicContact CD1-CE1 3.86Å; L116-F162 HydrophobicContact CD1-CZ 3.64Å; L116-F162 HydrophobicContact CD2-CE1 4.2Å; L116-F162 HydrophobicContact CD2-CE2 3.83Å; L116-F162 HydrophobicContact CD2-CZ 3.43Å; L116-F162 VanDerWaalsContact CD2-CZ 3.43Å; L116-F162 HydrophobicContact CG-CE1 4.41Å; L116-F162 HydrophobicContact CG-CE2 4.48Å; L116-F162 HydrophobicContact CG-CZ 3.71Å; F162-R164 VanDerWaalsContact C-N 3.26Å; F162-R164 PolarHBondContact O-N 3.39Å; F162-R164 VanDerWaalsContact O-N 3.16Å; F162-L165 HydrophobicContact CB-CD1 4.37Å; F162-L165 HydrophobicContact CB-CG 4.27Å; F162-L165 HydrophobicContact CD2-CD1 4.15Å; F162-L165 WeakPolarHBondContact O-CB 3.25Å; F162-L165 PolarHBondContact O-N 2.73Å; F162-I166 WeakPolarHBondContact O-CG1 3.5Å; F162-I166 PolarHBondContact O-N 2.91Å; F162-N183 CarbonylContact C-O 3.58Å; F162-N183 VanDerWaalsContact CA-O 3.25Å; F162-N183 WeakPolarHBondContact CA-O 3.18Å; F162-N183 HydrophobicContact CD1-CB 3.68Å; F162-N183 HydrophobicContact CE1-CB 3.84Å; F162-I185 HydrophobicContact CB-CD1 4.43Å; F162-I185 HydrophobicContact CB-CG1 4.43Å; F162-I185 HydrophobicContact CD1-CD1 3.97Å; F162-I185 HydrophobicContact CD1-CG1 3.43Å; F162-I185 VanDerWaalsContact CD1-CG1 3.43Å; F162-I185 HydrophobicContact CD2-CD1 3.93Å; F162-I185 HydrophobicContact CD2-CG1 4.33Å; F162-I185 HydrophobicContact CE1-CD1 4.23Å; F162-I185 HydrophobicContact CE1-CG1 3.69Å; F162-I185 HydrophobicContact CE2-CD1 4.18Å; F162-I185 HydrophobicContact CG-CD1 3.82Å; F162-I185 HydrophobicContact CG-CG1 3.8Å; F162-I185 HydrophobicContact CZ-CD1 4.35Å; F162-I185 HydrophobicContact CZ-CG1 4.26Å
163	R	96.7	Very high	96.8	Very high	48 Å²	48	27.3 Å²	27.3	18%	0.181	14%	0.135	C	C	.	.	H	α-helix	trans	-49.5	-44.9	-178.5	-175.2	173.5	-48	-52.7	4.5	113.1	L165 I166 L167 I180 A182 N183 E184 E200	R163-L165 PolarHBondContact O-N 3.21Å; R163-I166 PolarHBondContact O-N 3.46Å; R163-L167 WeakPolarHBondContact O-CG 3.37Å; R163-L167 PolarHBondContact O-N 3.05Å; R163-I180 HydrophobicContact CG-CG2 4.48Å; R163-I180 PolarHBondContact NH1-O 3.38Å; R163-A182 HydrophobicContact CB-CB 4.22Å; R163-A182 PolarHBondContact NH2-O 2.72Å; R163-N183 PolarHBondContact N-O 2.9Å; R163-E184 VanDerWaalsContact CB-OE2 3.31Å; R163-E184 WeakPolarHBondContact CB-OE2 3.45Å; R163-E184 IonicContact NE-OE2 2.77Å; R163-E200 IonicContact CZ-OE1 3.67Å; R163-E200 IonicContact NE-OE1 3.67Å; R163-E200 VanDerWaalsContact NH2-CD 3.3Å; R163-E200 IonicContact NH2-OE1 3.69Å; R163-E200 PolarHBondContact NH2-OE1 3.22Å; R163-E200 IonicContact NH2-OE2 3.96Å; R163-E200 PolarHBondContact NH2-OE2 2.77Å
164	R	94.7	Very high	96.8	Very high	89 Å²	89	29.4 Å²	29.4	34%	0.336	16%	0.158	S	C	.	.	H	α-helix	trans	-57.8	-35	178.8	-68.3	-71.1	175.8	160.2	-5.3	113.4	L126 E127 V130 F162 E184	L126-R164 HydrophobicContact CD2-CB 3.9Å; L126-R164 HydrophobicContact CD2-CG 3.98Å; L126-R164 HydrophobicContact CG-CB 4.3Å; E127-R164 IonicContact OE1-CZ 3.19Å; E127-R164 IonicContact OE1-NE 2.72Å; E127-R164 IonicContact OE1-NH1 2.85Å; E127-R164 PolarHBondContact OE1-NH1 2.95Å; V130-R164 WeakPolarHBondContact CG2-O 2.92Å; F162-R164 VanDerWaalsContact C-N 3.26Å; F162-R164 PolarHBondContact O-N 3.39Å; F162-R164 VanDerWaalsContact O-N 3.16Å; R164-E184 IonicContact NE-OE1 3.97Å
165	L	95.3	Very high	96.8	Very high	22 Å²	22	26.7 Å²	26.7	12%	0.115	15%	0.146	C	C	.	.	H	α-helix	trans	-77.7	-24.8	177.8	-56.2	-176.3	0	0	0	112.5	L82 L126 F129 V130 F162 R163	L82-L165 HydrophobicContact CD2-CD1 4.5Å; L126-L165 HydrophobicContact CD1-CD2 3.66Å; L126-L165 HydrophobicContact CD1-CG 4.43Å; F129-L165 HydrophobicContact CD1-CD2 3.66Å; F129-L165 HydrophobicContact CE1-CD2 3.69Å; V130-L165 HydrophobicContact CG2-CD2 3.75Å; F162-L165 HydrophobicContact CB-CD1 4.37Å; F162-L165 HydrophobicContact CB-CG 4.27Å; F162-L165 HydrophobicContact CD2-CD1 4.15Å; F162-L165 WeakPolarHBondContact O-CB 3.25Å; F162-L165 PolarHBondContact O-N 2.73Å; R163-L165 PolarHBondContact O-N 3.21Å
166	I	97	Very high	96.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-90.6	-23.3	-175.9	-59.4	162.5	0	0	0	111.6	V69 L157 F162 R163 V169 A170 I180 A182	V69-I166 HydrophobicContact CB-CG1 4.49Å; V69-I166 HydrophobicContact CG1-CG1 4.21Å; V69-I166 HydrophobicContact CG2-CD1 4.16Å; V69-I166 HydrophobicContact CG2-CG1 4.19Å; V69-I166 HydrophobicContact CG2-CG2 3.99Å; L157-I166 HydrophobicContact CB-CG2 4.11Å; L157-I166 HydrophobicContact CD1-CG2 3.5Å; L157-I166 HydrophobicContact CG-CG2 4.46Å; F162-I166 WeakPolarHBondContact O-CG1 3.5Å; F162-I166 PolarHBondContact O-N 2.91Å; R163-I166 PolarHBondContact O-N 3.46Å; I166-V169 WeakPolarHBondContact O-CA 3.33Å; I166-V169 VanDerWaalsContact O-CB 3.25Å; I166-V169 WeakPolarHBondContact O-CB 3.48Å; I166-V169 PolarHBondContact O-N 3.3Å; I166-A170 PolarHBondContact O-N 2.85Å; I166-I180 HydrophobicContact CB-CG2 4.16Å; I166-I180 HydrophobicContact CD1-CG2 4.41Å; I166-I180 HydrophobicContact CG2-CD1 4.34Å; I166-I180 HydrophobicContact CG2-CG1 4.47Å; I166-I180 HydrophobicContact CG2-CG2 3.77Å; I166-A182 HydrophobicContact CD1-CB 3.45Å; I166-A182 VanDerWaalsContact CD1-CB 3.45Å
167	L	96.4	Very high	96.6	Very high	40 Å²	40	39.2 Å²	39.2	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-52.8	-47	179.8	-79	170.6	0	0	0	113.5	R163 V169 A170 E171 K177 I180	R163-L167 WeakPolarHBondContact O-CG 3.37Å; R163-L167 PolarHBondContact O-N 3.05Å; L167-V169 VanDerWaalsContact C-N 3.3Å; L167-V169 PolarHBondContact O-N 3.34Å; L167-A170 PolarHBondContact O-N 3.3Å; L167-E171 PolarHBondContact O-N 2.82Å; L167-K177 HydrophobicContact CD2-CB 4.14Å; L167-K177 HydrophobicContact CD2-CD 3.78Å; L167-K177 HydrophobicContact CD2-CG 3.67Å; L167-I180 HydrophobicContact CD2-CD1 3.78Å; L167-I180 HydrophobicContact CG-CD1 4.42Å
168	P	95.7	Very high	96.5	Very high	26 Å²	26	42.5 Å²	42.5	17%	0.169	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-32.8	175.6	-20.5	32.2	0	0	0	113.2	V130 P135 L172	V130-P168 HydrophobicContact CG1-CG 3.65Å; P135-P168 HydrophobicContact CG-CB 3.88Å; P168-L172 WeakPolarHBondContact O-CB 3.42Å; P168-L172 VanDerWaalsContact O-CG 3.26Å; P168-L172 WeakPolarHBondContact O-CG 3.16Å; P168-L172 PolarHBondContact O-N 2.8Å
169	V	96.9	Very high	96.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-49.1	175.5	-176.8	0	0	0	0	110	V73 C74 P135 L137 L157 I166 L167 E171 L172 L173	V73-V169 HydrophobicContact CG1-CG1 3.47Å; V73-V169 VanDerWaalsContact CG1-CG1 3.47Å; C74-V169 VanDerWaalsContact SG-CG2 3.54Å; P135-V169 HydrophobicContact CB-CG2 3.69Å; P135-V169 HydrophobicContact CG-CG2 3.76Å; L137-V169 HydrophobicContact CD2-CG1 3.94Å; L157-V169 HydrophobicContact CD1-CG1 4.19Å; I166-V169 WeakPolarHBondContact O-CA 3.33Å; I166-V169 VanDerWaalsContact O-CB 3.25Å; I166-V169 WeakPolarHBondContact O-CB 3.48Å; I166-V169 PolarHBondContact O-N 3.3Å; L167-V169 VanDerWaalsContact C-N 3.3Å; L167-V169 PolarHBondContact O-N 3.34Å; V169-E171 VanDerWaalsContact C-N 3.34Å; V169-E171 PolarHBondContact O-N 3.04Å; V169-L172 PolarHBondContact O-N 3.39Å; V169-L173 HydrophobicContact CG1-CD1 4Å; V169-L173 WeakPolarHBondContact O-CG 3.15Å; V169-L173 PolarHBondContact O-N 3.17Å; V169-L173 VanDerWaalsContact O-N 3.15Å
170	A	97.5	Very high	96.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-42.7	179.3	0	0	0	0	0	111.5	L157 I166 L167 L173 G174 I175 I180	L157-A170 HydrophobicContact CD1-CB 4Å; I166-A170 PolarHBondContact O-N 2.85Å; L167-A170 PolarHBondContact O-N 3.3Å; A170-L173 CarbonylContact O-C 3.46Å; A170-L173 PolarHBondContact O-N 2.92Å; A170-G174 PolarHBondContact O-N 3.11Å; A170-I175 HydrophobicContact CB-CB 4.13Å; A170-I175 PolarHBondContact O-N 2.96Å; A170-I180 HydrophobicContact CB-CD1 3.56Å; A170-I180 HydrophobicContact CB-CG1 4.08Å
171	E	96.7	Very high	96.9	Very high	157 Å²	157	45.3 Å²	45.3	73%	0.734	23%	0.232	S	C	*	.	H	α-helix	trans	-59.9	-46.8	175.8	-177.4	171.6	-170.5	0	0	111.9	L167 V169 L173 G174	L167-E171 PolarHBondContact O-N 2.82Å; V169-E171 VanDerWaalsContact C-N 3.34Å; V169-E171 PolarHBondContact O-N 3.04Å; E171-L173 PolarHBondContact O-N 3.01Å; E171-G174 PolarHBondContact O-N 3.15Å
172	L	96.6	Very high	97.1	Very high	69 Å²	69	45 Å²	45	36%	0.361	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-28	177.9	-74.3	172.2	0	0	0	113.3	P135 L137 R142 P168 V169	P135-L172 HydrophobicContact CB-CD1 4.35Å; P135-L172 HydrophobicContact CG-CD1 4.11Å; L137-L172 HydrophobicContact CD1-CB 4.21Å; L137-L172 HydrophobicContact CD1-CD1 4.42Å; R142-L172 PolarHBondContact NH1-O 3.42Å; R142-L172 PolarHBondContact NH2-O 3.27Å; P168-L172 WeakPolarHBondContact O-CB 3.42Å; P168-L172 VanDerWaalsContact O-CG 3.26Å; P168-L172 WeakPolarHBondContact O-CG 3.16Å; P168-L172 PolarHBondContact O-N 2.8Å; V169-L172 PolarHBondContact O-N 3.39Å
173	L	98	Very high	97.1	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-97.8	-2.5	-179	-63.7	176.2	0	0	0	113.6	V73 L137 I141 R142 V145 V169 A170 E171 I175	V73-L173 HydrophobicContact CG1-CD1 3.58Å; L137-L173 HydrophobicContact CD1-CD2 3.99Å; L137-L173 HydrophobicContact CD2-CD1 4.41Å; L137-L173 HydrophobicContact CD2-CD2 4.43Å; L137-L173 HydrophobicContact CD2-CG 4.42Å; I141-L173 HydrophobicContact CG2-CD2 4.21Å; R142-L173 HydrophobicContact CB-CD2 4.3Å; V145-L173 HydrophobicContact CG1-CB 4.24Å; V145-L173 HydrophobicContact CG2-CD1 4.46Å; V169-L173 HydrophobicContact CG1-CD1 4Å; V169-L173 WeakPolarHBondContact O-CG 3.15Å; V169-L173 PolarHBondContact O-N 3.17Å; V169-L173 VanDerWaalsContact O-N 3.15Å; A170-L173 CarbonylContact O-C 3.46Å; A170-L173 PolarHBondContact O-N 2.92Å; E171-L173 PolarHBondContact O-N 3.01Å; L173-I175 VanDerWaalsContact C-N 3.3Å; L173-I175 HydrophobicContact CB-CD1 3.84Å; L173-I175 HydrophobicContact CB-CG1 3.99Å; L173-I175 HydrophobicContact CD1-CD1 4.05Å; L173-I175 PolarHBondContact O-N 3.3Å
174	G	98	Very high	97.1	Very high	55 Å²	55	44.4 Å²	44.4	57%	0.567	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	29.5	-176.2	0	0	0	0	0	113.6	H149 A170 E171	H149-G174 PolarHBondContact CE1-O 3.4Å; A170-G174 PolarHBondContact O-N 3.11Å; E171-G174 PolarHBondContact O-N 3.15Å
175	I	98.5	Very high	97.2	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.041	21%	0.213	C	C	.	.			trans	-93	129.7	177.4	-61.5	169.6	0	0	0	108.7	V145 V155 L157 A170 L173 R179	V145-I175 HydrophobicContact CG1-CD1 4.29Å; V145-I175 HydrophobicContact CG1-CG1 4.2Å; V155-I175 HydrophobicContact CB-CD1 4.35Å; V155-I175 HydrophobicContact CB-CG1 4.38Å; V155-I175 HydrophobicContact CG1-CD1 3.66Å; V155-I175 HydrophobicContact CG1-CG1 4.22Å; L157-I175 HydrophobicContact CD1-CD1 4.19Å; L157-I175 HydrophobicContact CD2-CD1 3.88Å; L157-I175 HydrophobicContact CG-CD1 3.9Å; A170-I175 HydrophobicContact CB-CB 4.13Å; A170-I175 PolarHBondContact O-N 2.96Å; L173-I175 VanDerWaalsContact C-N 3.3Å; L173-I175 HydrophobicContact CB-CD1 3.84Å; L173-I175 HydrophobicContact CB-CG1 3.99Å; L173-I175 HydrophobicContact CD1-CD1 4.05Å; L173-I175 PolarHBondContact O-N 3.3Å; I175-R179 HydrophobicContact CG2-CB 3.95Å
176	E	97.7	Very high	97.3	Very high	109 Å²	109	42.5 Å²	42.5	51%	0.509	22%	0.224	S	C	.	.			trans	-61.4	142.4	178.3	-66.7	175.4	-162.2	0	0	112	S178 R179	E176-S178 WeakPolarHBondContact CB-OG 3.45Å; E176-S178 PolarHBondContact O-N 3.05Å; E176-S178 VanDerWaalsContact O-N 3.12Å; E176-S178 PolarHBondContact OE2-OG 3.21Å; E176-S178 VanDerWaalsContact OE2-OG 3.12Å; E176-R179 HydrophobicContact CB-CG 4.22Å; E176-R179 WeakPolarHBondContact O-CB 3.31Å; E176-R179 PolarHBondContact O-N 3.46Å; E176-R179 IonicContact OE1-NH2 3.88Å; E176-R179 IonicContact OE2-NE 3.12Å
177	K	97.1	Very high	97.3	Very high	155 Å²	155	44.6 Å²	44.6	67%	0.674	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-57.8	-29.3	178.2	-60.2	-176.2	179.3	-178.9	0	113.1	L167 R179 I180	L167-K177 HydrophobicContact CD2-CB 4.14Å; L167-K177 HydrophobicContact CD2-CD 3.78Å; L167-K177 HydrophobicContact CD2-CG 3.67Å; K177-R179 PolarHBondContact O-N 2.94Å; K177-I180 PolarHBondContact O-N 2.92Å
178	S	97.1	Very high	97.4	Very high	70 Å²	70	45.3 Å²	45.3	49%	0.49	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65.9	-16.2	175.4	56.2	0	0	0	0	113.7	E176	E176-S178 WeakPolarHBondContact CB-OG 3.45Å; E176-S178 PolarHBondContact O-N 3.05Å; E176-S178 VanDerWaalsContact O-N 3.12Å; E176-S178 PolarHBondContact OE2-OG 3.21Å; E176-S178 VanDerWaalsContact OE2-OG 3.12Å
179	R	98.1	Very high	97.4	Very high	34 Å²	34	53.1 Å²	53.1	13%	0.128	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-101.2	16.9	-178.2	-58.7	-176.3	-173.1	-180	-5.4	112.8	H154 V155 Y156 L157 I175 E176 K177	H154-R179 PolarHBondContact CD2-NH2 3.31Å; H154-R179 PolarHBondContact NE2-NH2 2.84Å; V155-R179 VanDerWaalsContact O-CD 3.27Å; V155-R179 WeakPolarHBondContact O-CD 3.31Å; Y156-R179 WeakPolarHBondContact CA-O 3.32Å; Y156-R179 HydrophobicContact CD1-CB 3.51Å; Y156-R179 HydrophobicContact CD1-CG 3.94Å; Y156-R179 HydrophobicContact CE1-CB 3.76Å; Y156-R179 HydrophobicContact CE1-CG 3.64Å; Y156-R179 HydrophobicContact CG-CB 4.2Å; L157-R179 PolarHBondContact N-O 2.87Å; I175-R179 HydrophobicContact CG2-CB 3.95Å; E176-R179 HydrophobicContact CB-CG 4.22Å; E176-R179 WeakPolarHBondContact O-CB 3.31Å; E176-R179 PolarHBondContact O-N 3.46Å; E176-R179 IonicContact OE1-NH2 3.88Å; E176-R179 IonicContact OE2-NE 3.12Å; K177-R179 PolarHBondContact O-N 2.94Å
180	I	98.3	Very high	97.4	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.5	175.1	-53.9	172.1	0	0	0	109.2	L157 R163 I166 L167 A170 K177 A182	L157-I180 WeakPolarHBondContact O-CA 3.43Å; R163-I180 HydrophobicContact CG-CG2 4.48Å; R163-I180 PolarHBondContact NH1-O 3.38Å; I166-I180 HydrophobicContact CB-CG2 4.16Å; I166-I180 HydrophobicContact CD1-CG2 4.41Å; I166-I180 HydrophobicContact CG2-CD1 4.34Å; I166-I180 HydrophobicContact CG2-CG1 4.47Å; I166-I180 HydrophobicContact CG2-CG2 3.77Å; L167-I180 HydrophobicContact CD2-CD1 3.78Å; L167-I180 HydrophobicContact CG-CD1 4.42Å; A170-I180 HydrophobicContact CB-CD1 3.56Å; A170-I180 HydrophobicContact CB-CG1 4.08Å; K177-I180 PolarHBondContact O-N 2.92Å; I180-A182 HydrophobicContact CG2-CB 4.2Å
181	Y	98.3	Very high	97.4	Very high	33 Å²	33	61.1 Å²	61.1	13%	0.129	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.8	172.1	-68.4	-95.8	0	0	0	108.6	Y156 L157 V158 S159 V215 L218 L219	Y156-Y181 HydrophobicContact CD1-CD2 4.21Å; Y156-Y181 AromaticContact CD1-CE2 3.77Å; Y156-Y181 HydrophobicContact CD1-CE2 3.77Å; Y156-Y181 HydrophobicContact CE1-CE2 4.03Å; L157-Y181 PolarHBondContact O-N 2.87Å; V158-Y181 CarbonylContact C-O 3.16Å; V158-Y181 WeakPolarHBondContact CA-O 3.49Å; S159-Y181 PolarHBondContact N-O 2.72Å; Y181-V215 HydrophobicContact CD1-CG1 3.75Å; Y181-V215 HydrophobicContact CD1-CG2 4.04Å; Y181-V215 HydrophobicContact CD2-CG1 3.75Å; Y181-V215 HydrophobicContact CE1-CG1 4.29Å; Y181-V215 HydrophobicContact CE2-CG1 4.31Å; Y181-V215 HydrophobicContact CG-CB 4.46Å; Y181-V215 HydrophobicContact CG-CG1 3.44Å; Y181-V215 VanDerWaalsContact CG-CG1 3.44Å; Y181-V215 HydrophobicContact CG-CG2 4.15Å; Y181-L218 HydrophobicContact CE1-CD2 3.84Å; Y181-L219 HydrophobicContact CE2-CD1 4.46Å; Y181-L219 HydrophobicContact CE2-CD2 3.77Å; Y181-L219 HydrophobicContact CE2-CG 4.4Å; Y181-L219 WeakPolarHBondContact OH-CD2 3.27Å
182	A	97.8	Very high	97.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	169.5	-171.4	0	0	0	0	0	110.1	S159 R163 I166 I180 T202	S159-A182 WeakPolarHBondContact O-CA 3.38Å; R163-A182 HydrophobicContact CB-CB 4.22Å; R163-A182 PolarHBondContact NH2-O 2.72Å; I166-A182 HydrophobicContact CD1-CB 3.45Å; I166-A182 VanDerWaalsContact CD1-CB 3.45Å; I180-A182 HydrophobicContact CG2-CB 4.2Å; A182-T202 VanDerWaalsContact CA-OG1 3.32Å; A182-T202 WeakPolarHBondContact CA-OG1 3.45Å
183	N	97.5	Very high	97.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	155.2	174.9	-69.1	-55.6	0	0	0	111.4	L112 G160 G161 F162 R163 T202 S203	L112-N183 WeakPolarHBondContact CD2-ND2 3.24Å; G160-N183 PolarHBondContact O-ND2 3.35Å; G161-N183 WeakPolarHBondContact O-CB 3.45Å; G161-N183 PolarHBondContact O-N 3.31Å; F162-N183 CarbonylContact C-O 3.58Å; F162-N183 VanDerWaalsContact CA-O 3.25Å; F162-N183 WeakPolarHBondContact CA-O 3.18Å; F162-N183 HydrophobicContact CD1-CB 3.68Å; F162-N183 HydrophobicContact CE1-CB 3.84Å; R163-N183 PolarHBondContact N-O 2.9Å; N183-T202 PolarHBondContact N-OG1 3.35Å; N183-T202 PolarHBondContact ND2-O 2.64Å; N183-T202 PolarHBondContact OD1-O 3.33Å; N183-T202 PolarHBondContact OD1-OG1 3Å; N183-S203 WeakPolarHBondContact OD1-CA 3.31Å; N183-S203 WeakPolarHBondContact OD1-CB 3.21Å; N183-S203 PolarHBondContact OD1-N 3.08Å
184	E	96.6	Very high	97.4	Very high	37 Å²	37	64.1 Å²	64.1	17%	0.173	32%	0.317	C	S	.	.			trans	-117.7	130.3	173.8	-172	64.8	-157.2	0	0	110.1	R163 R164 F196 D197	R163-E184 VanDerWaalsContact CB-OE2 3.31Å; R163-E184 WeakPolarHBondContact CB-OE2 3.45Å; R163-E184 IonicContact NE-OE2 2.77Å; R164-E184 IonicContact NE-OE1 3.97Å; E184-F196 CarbonylContact O-C 3.54Å; E184-F196 WeakPolarHBondContact O-CA 3.41Å; E184-F196 WeakPolarHBondContact O-CB 3.42Å; E184-D197 HydrophobicContact CB-CB 4.14Å; E184-D197 PolarHBondContact O-N 3.26Å
185	I	96.7	Very high	97.3	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.8	172.7	-60.8	176.4	0	0	0	108.3	L116 P121 L126 F162 F187 Y193	L116-I185 HydrophobicContact CD2-CD1 4.09Å; L116-I185 HydrophobicContact CD2-CG1 4.38Å; P121-I185 HydrophobicContact CG-CD1 4.06Å; L126-I185 HydrophobicContact CD2-CD1 4.16Å; F162-I185 HydrophobicContact CB-CD1 4.43Å; F162-I185 HydrophobicContact CB-CG1 4.43Å; F162-I185 HydrophobicContact CD1-CD1 3.97Å; F162-I185 HydrophobicContact CD1-CG1 3.43Å; F162-I185 VanDerWaalsContact CD1-CG1 3.43Å; F162-I185 HydrophobicContact CD2-CD1 3.93Å; F162-I185 HydrophobicContact CD2-CG1 4.33Å; F162-I185 HydrophobicContact CE1-CD1 4.23Å; F162-I185 HydrophobicContact CE1-CG1 3.69Å; F162-I185 HydrophobicContact CE2-CD1 4.18Å; F162-I185 HydrophobicContact CG-CD1 3.82Å; F162-I185 HydrophobicContact CG-CG1 3.8Å; F162-I185 HydrophobicContact CZ-CD1 4.35Å; F162-I185 HydrophobicContact CZ-CG1 4.26Å; I185-F187 HydrophobicContact CB-CE2 4.27Å; I185-F187 HydrophobicContact CB-CZ 4.16Å; I185-F187 HydrophobicContact CG2-CE1 3.9Å; I185-F187 HydrophobicContact CG2-CE2 4.02Å; I185-F187 HydrophobicContact CG2-CZ 3.6Å; I185-Y193 HydrophobicContact CG2-CD2 3.91Å; I185-Y193 HydrophobicContact CG2-CE2 4.11Å
186	L	97.3	Very high	97.1	Very high	66 Å²	66	63 Å²	63	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.7	178.5	-59.7	178.7	0	0	0	110.3	H194 G195 D197	L186-H194 WeakPolarHBondContact O-CA 3.29Å; L186-H194 PolarHBondContact O-N 2.74Å; L186-G195 PolarHBondContact N-O 2.71Å; L186-D197 HydrophobicContact CD2-CB 4.35Å
187	F	97.5	Very high	97.1	Very high	49 Å²	49	59.9 Å²	59.9	22%	0.215	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.6	176.4	-56.7	-80.5	0	0	0	110.4	P121 H123 L126 I185 G191 K192	P121-F187 VanDerWaalsContact O-CE1 3.31Å; P121-F187 WeakPolarHBondContact O-CE1 3.47Å; H123-F187 HydrophobicContact CB-CD1 3.91Å; H123-F187 HydrophobicContact CB-CD2 4.13Å; H123-F187 HydrophobicContact CB-CE1 4.06Å; H123-F187 HydrophobicContact CB-CE2 4.27Å; H123-F187 HydrophobicContact CB-CG 3.94Å; H123-F187 HydrophobicContact CB-CZ 4.23Å; H123-F187 AromaticContact CD2-CD2 3.82Å; H123-F187 AromaticContact CD2-CE2 3.93Å; L126-F187 HydrophobicContact CB-CZ 4.34Å; L126-F187 HydrophobicContact CD2-CE2 4.14Å; L126-F187 HydrophobicContact CD2-CZ 3.74Å; I185-F187 HydrophobicContact CB-CE2 4.27Å; I185-F187 HydrophobicContact CB-CZ 4.16Å; I185-F187 HydrophobicContact CG2-CE1 3.9Å; I185-F187 HydrophobicContact CG2-CE2 4.02Å; I185-F187 HydrophobicContact CG2-CZ 3.6Å; F187-G191 WeakPolarHBondContact CD1-O 3.2Å; F187-K192 CarbonylContact C-O 3.48Å; F187-K192 VanDerWaalsContact CA-O 3.25Å; F187-K192 WeakPolarHBondContact CA-O 3.38Å
188	D	97.3	Very high	97	Very high	54 Å²	54	56 Å²	56	29%	0.289	28%	0.278	S	S	.	.			trans	-73.8	176.4	169.4	75.3	7.6	0	0	0	111.3	F190 G191 K192 H194	D188-F190 PolarHBondContact O-N 3.47Å; D188-F190 VanDerWaalsContact OD1-C 3.28Å; D188-F190 VanDerWaalsContact OD1-CA 3.27Å; D188-F190 WeakPolarHBondContact OD1-CA 3.48Å; D188-F190 WeakPolarHBondContact OD1-CB 3.38Å; D188-F190 PolarHBondContact OD1-N 2.81Å; D188-G191 PolarHBondContact O-N 3.45Å; D188-G191 PolarHBondContact OD1-N 3.22Å; D188-K192 PolarHBondContact N-O 2.87Å; D188-K192 PolarHBondContact OD1-N 2.99Å; D188-H194 HydrophobicContact CB-CB 4.38Å
189	K	96.6	Very high	96.8	Very high	190 Å²	190	57.1 Å²	57.1	83%	0.826	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.9	178.1	69.2	-177.5	-177.2	-179.3	0	114.8
190	F	96.4	Very high	96.7	Very high	153 Å²	153	57.6 Å²	57.6	67%	0.671	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	7.7	177.3	-54.6	-70.9	0	0	0	112.2	D188 K192	D188-F190 PolarHBondContact O-N 3.47Å; D188-F190 VanDerWaalsContact OD1-C 3.28Å; D188-F190 VanDerWaalsContact OD1-CA 3.27Å; D188-F190 WeakPolarHBondContact OD1-CA 3.48Å; D188-F190 WeakPolarHBondContact OD1-CB 3.38Å; D188-F190 PolarHBondContact OD1-N 2.81Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-K192 PolarHBondContact O-N 3.48Å
191	G	96.7	Very high	96.6	Very high	20 Å²	20	59.9 Å²	59.9	21%	0.206	30%	0.301	C	S	.	.	S	Bend	trans	76.6	11.3	-179.7	0	0	0	0	0	114.3	N122 H123 F187 D188	N122-G191 CarbonylContact C-O 3.35Å; N122-G191 VanDerWaalsContact CA-O 3.3Å; N122-G191 WeakPolarHBondContact CA-O 3.43Å; N122-G191 VanDerWaalsContact CB-O 3.29Å; N122-G191 WeakPolarHBondContact CB-O 3.35Å; H123-G191 PolarHBondContact N-O 3.07Å; F187-G191 WeakPolarHBondContact CD1-O 3.2Å; D188-G191 PolarHBondContact O-N 3.45Å; D188-G191 PolarHBondContact OD1-N 3.22Å
192	K	97.1	Very high	96.4	Very high	133 Å²	133	58.6 Å²	58.6	58%	0.578	30%	0.297	S	S	*	.			trans	-84.6	147.6	178	-62.2	-178.6	178.3	179.5	0	110.8	F187 D188 F190 H194	F187-K192 CarbonylContact C-O 3.48Å; F187-K192 VanDerWaalsContact CA-O 3.25Å; F187-K192 WeakPolarHBondContact CA-O 3.38Å; D188-K192 PolarHBondContact N-O 2.87Å; D188-K192 PolarHBondContact OD1-N 2.99Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-K192 PolarHBondContact O-N 3.48Å; K192-H194 PolarHBondContact O-N 3.33Å
193	Y	97.1	Very high	96.1	Very high	40 Å²	40	58.7 Å²	58.7	16%	0.157	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.7	126.1	174.5	177.7	-107.6	0	0	0	112.2	L116 K120 P121 I185 G195	L116-Y193 HydrophobicContact CB-CE2 3.96Å; L116-Y193 WeakPolarHBondContact CB-OH 3.42Å; L116-Y193 HydrophobicContact CD1-CE2 4.22Å; L116-Y193 HydrophobicContact CD2-CE2 4.31Å; L116-Y193 HydrophobicContact CG-CE2 4.43Å; K120-Y193 HydrophobicContact CB-CD1 4.22Å; K120-Y193 HydrophobicContact CB-CG 4.29Å; K120-Y193 HydrophobicContact CG-CD1 3.86Å; K120-Y193 HydrophobicContact CG-CE1 4.48Å; K120-Y193 HydrophobicContact CG-CG 4.42Å; P121-Y193 HydrophobicContact CG-CD2 4.5Å; P121-Y193 WeakPolarHBondContact O-CB 3.16Å; I185-Y193 HydrophobicContact CG2-CD2 3.91Å; I185-Y193 HydrophobicContact CG2-CE2 4.11Å; Y193-G195 WeakPolarHBondContact CE2-O 3.44Å; Y193-G195 VanDerWaalsContact CZ-CA 3.43Å; Y193-G195 WeakPolarHBondContact OH-CA 3.38Å
194	H	96.9	Very high	95.8	Very high	129 Å²	129	59 Å²	59	60%	0.597	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	34.7	-178.9	-165.2	69.3	0	0	0	112	L186 D188 K192	L186-H194 WeakPolarHBondContact O-CA 3.29Å; L186-H194 PolarHBondContact O-N 2.74Å; D188-H194 HydrophobicContact CB-CB 4.38Å; K192-H194 PolarHBondContact O-N 3.33Å
195	G	95.9	Very high	95.3	Very high	19 Å²	19	58.6 Å²	58.6	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.7	-156.9	-178.9	0	0	0	0	0	113.1	L186 Y193	L186-G195 PolarHBondContact N-O 2.71Å; Y193-G195 WeakPolarHBondContact CE2-O 3.44Å; Y193-G195 VanDerWaalsContact CZ-CA 3.43Å; Y193-G195 WeakPolarHBondContact OH-CA 3.38Å
196	F	96.1	Very high	94.8	Very high	19 Å²	19	61.3 Å²	61.3	8%	0.083	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.1	175.6	65.9	-78.1	0	0	0	109.1	R109 L112 A113 L116 E184 T198	R109-F196 HydrophobicContact CG-CZ 3.93Å; L112-F196 HydrophobicContact CD2-CD2 4.16Å; L112-F196 HydrophobicContact CD2-CE2 3.82Å; L112-F196 HydrophobicContact CD2-CZ 4.19Å; L112-F196 HydrophobicContact CG-CZ 4.43Å; A113-F196 HydrophobicContact CB-CE1 3.85Å; A113-F196 HydrophobicContact CB-CZ 4.44Å; L116-F196 HydrophobicContact CD1-CB 3.86Å; L116-F196 HydrophobicContact CD1-CD1 3.59Å; L116-F196 HydrophobicContact CD1-CE1 4.37Å; L116-F196 HydrophobicContact CD1-CG 3.91Å; E184-F196 CarbonylContact O-C 3.54Å; E184-F196 WeakPolarHBondContact O-CA 3.41Å; E184-F196 WeakPolarHBondContact O-CB 3.42Å; F196-T198 HydrophobicContact CD2-CG2 4.43Å; F196-T198 HydrophobicContact CE2-CG2 4.05Å; F196-T198 HydrophobicContact CZ-CG2 4.15Å; F196-T198 PolarHBondContact O-N 3.31Å; F196-T198 VanDerWaalsContact O-N 3.12Å
197	D	96.5	Very high	94.2	Very high	45 Å²	45	60.6 Å²	60.6	24%	0.241	33%	0.33	C	S	.	.			trans	-71.3	107.3	-179.5	-168.9	-12	0	0	0	110.8	E184 L186 S199 E200	E184-D197 HydrophobicContact CB-CB 4.14Å; E184-D197 PolarHBondContact O-N 3.26Å; L186-D197 HydrophobicContact CD2-CB 4.35Å; D197-S199 VanDerWaalsContact CG-OG 3.27Å; D197-S199 PolarHBondContact O-N 3.46Å; D197-S199 WeakPolarHBondContact OD1-CA 3.46Å; D197-S199 VanDerWaalsContact OD1-CB 3.26Å; D197-S199 WeakPolarHBondContact OD1-CB 3.4Å; D197-S199 PolarHBondContact OD1-N 3.15Å; D197-S199 PolarHBondContact OD1-OG 3.19Å; D197-S199 PolarHBondContact OD2-OG 3.2Å; D197-E200 HydrophobicContact CB-CG 3.91Å
198	T	94.5	Very high	93.8	Very high	74 Å²	74	65.8 Å²	65.8	45%	0.454	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.6	178.5	63.3	0	0	0	0	113.7	R109 F196 S203	R109-T198 PolarHBondContact NH2-O 3.26Å; F196-T198 HydrophobicContact CD2-CG2 4.43Å; F196-T198 HydrophobicContact CE2-CG2 4.05Å; F196-T198 HydrophobicContact CZ-CG2 4.15Å; F196-T198 PolarHBondContact O-N 3.31Å; F196-T198 VanDerWaalsContact O-N 3.12Å; T198-S203 PolarHBondContact O-OG 2.92Å; T198-S203 VanDerWaalsContact O-OG 3.08Å
199	S	94.7	Very high	93.5	Very high	93 Å²	93	71.1 Å²	71.1	65%	0.65	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-18	172.2	77.4	0	0	0	0	112.8	D197 L201	D197-S199 VanDerWaalsContact CG-OG 3.27Å; D197-S199 PolarHBondContact O-N 3.46Å; D197-S199 WeakPolarHBondContact OD1-CA 3.46Å; D197-S199 VanDerWaalsContact OD1-CB 3.26Å; D197-S199 WeakPolarHBondContact OD1-CB 3.4Å; D197-S199 PolarHBondContact OD1-N 3.15Å; D197-S199 PolarHBondContact OD1-OG 3.19Å; D197-S199 PolarHBondContact OD2-OG 3.2Å; S199-L201 PolarHBondContact O-N 2.97Å
200	E	95.8	Very high	93.3	Very high	44 Å²	44	63.5 Å²	63.5	21%	0.206	35%	0.345	C	S	.	.	S	Bend	trans	-59.8	135.1	171.5	-71.6	-74.6	-168.7	0	0	110.1	R163 D197 T202 S203	R163-E200 IonicContact CZ-OE1 3.67Å; R163-E200 IonicContact NE-OE1 3.67Å; R163-E200 VanDerWaalsContact NH2-CD 3.3Å; R163-E200 IonicContact NH2-OE1 3.69Å; R163-E200 PolarHBondContact NH2-OE1 3.22Å; R163-E200 IonicContact NH2-OE2 3.96Å; R163-E200 PolarHBondContact NH2-OE2 2.77Å; D197-E200 HydrophobicContact CB-CG 3.91Å; E200-T202 PolarHBondContact O-N 3.33Å; E200-S203 WeakPolarHBondContact O-CB 3.49Å; E200-S203 PolarHBondContact O-N 2.65Å; E200-S203 PolarHBondContact O-OG 3.39Å
201	L	95.3	Very high	93.2	Very high	55 Å²	55	56.4 Å²	56.4	29%	0.288	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.7	-35.2	-177.6	-69.1	176.9	0	0	0	111.5	S199 S203 G211 A214 V215 L218	S199-L201 PolarHBondContact O-N 2.97Å; L201-S203 PolarHBondContact O-N 3.02Å; L201-G211 WeakPolarHBondContact O-CA 3.4Å; L201-G211 PolarHBondContact O-N 3.04Å; L201-A214 HydrophobicContact CB-CB 4.4Å; L201-A214 HydrophobicContact CD1-CB 4.12Å; L201-A214 HydrophobicContact CD2-CB 3.97Å; L201-A214 HydrophobicContact CG-CB 4.4Å; L201-V215 HydrophobicContact CB-CG2 3.86Å; L201-V215 HydrophobicContact CD1-CG2 3.96Å; L201-L218 HydrophobicContact CD1-CB 4.42Å; L201-L218 HydrophobicContact CD1-CD2 4Å
202	T	94.4	Very high	93.2	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-81.1	5.9	-179.3	58.2	0	0	0	0	114	V158 S159 A182 N183 E200 D204 V215	V158-T202 HydrophobicContact CG1-CG2 4.23Å; S159-T202 WeakPolarHBondContact O-CB 3.41Å; S159-T202 WeakPolarHBondContact O-CG2 3.38Å; S159-T202 PolarHBondContact O-OG1 3.44Å; A182-T202 VanDerWaalsContact CA-OG1 3.32Å; A182-T202 WeakPolarHBondContact CA-OG1 3.45Å; N183-T202 PolarHBondContact N-OG1 3.35Å; N183-T202 PolarHBondContact ND2-O 2.64Å; N183-T202 PolarHBondContact OD1-O 3.33Å; N183-T202 PolarHBondContact OD1-OG1 3Å; E200-T202 PolarHBondContact O-N 3.33Å; T202-D204 PolarHBondContact O-N 2.99Å; T202-V215 HydrophobicContact CG2-CG2 4.06Å
203	S	92.4	Very high	93.2	Very high	2 Å²	2	50 Å²	50	1%	0.014	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-75.3	-6.9	176.5	72.1	0	0	0	0	114	R109 N183 T198 E200 L201	R109-S203 WeakPolarHBondContact CB-O 3.49Å; R109-S203 PolarHBondContact NE-O 3.06Å; R109-S203 PolarHBondContact NH2-OG 3.47Å; N183-S203 WeakPolarHBondContact OD1-CA 3.31Å; N183-S203 WeakPolarHBondContact OD1-CB 3.21Å; N183-S203 PolarHBondContact OD1-N 3.08Å; T198-S203 PolarHBondContact O-OG 2.92Å; T198-S203 VanDerWaalsContact O-OG 3.08Å; E200-S203 WeakPolarHBondContact O-CB 3.49Å; E200-S203 PolarHBondContact O-N 2.65Å; E200-S203 PolarHBondContact O-OG 3.39Å; L201-S203 PolarHBondContact O-N 3.02Å
204	D	90.1	Very high	93.2	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.032	28%	0.279	C	S	.	.			trans	-150.1	170.8	174.6	-153.5	7.1	0	0	0	110.4	R107 R109 T202 T210 G211	R107-D204 IonicContact CZ-OD2 2.69Å; R107-D204 IonicContact NE-OD2 2.72Å; R107-D204 IonicContact NH2-OD2 2.72Å; R107-D204 PolarHBondContact NH2-OD2 2.78Å; R109-D204 HydrophobicContact CB-CB 4.45Å; R109-D204 PolarHBondContact N-OD1 3.08Å; T202-D204 PolarHBondContact O-N 2.99Å; D204-T210 HydrophobicContact CB-CG2 4.23Å; D204-G211 WeakPolarHBondContact O-CA 3.48Å; D204-G211 PolarHBondContact O-N 3.39Å; D204-G211 VanDerWaalsContact O-N 3.12Å
205	S	86.3	Confident	93.2	Very high	30 Å²	30	42.4 Å²	42.4	21%	0.21	25%	0.25	C	S	.	.			trans	-148.2	-178.3	175.7	70.4	0	0	0	0	111.5	Y108	Y108-S205 WeakPolarHBondContact CB-OG 3.41Å; Y108-S205 WeakPolarHBondContact CD2-OG 3.21Å; Y108-S205 VanDerWaalsContact CG-OG 3.29Å
206	G	85.5	Confident	93.3	Very high	61 Å²	61	41.5 Å²	41.5	63%	0.629	24%	0.241	S	C	*	.	S	Bend	trans	83.9	9.1	177.6	0	0	0	0	0	115.5
207	S	86.2	Confident	93.4	Very high	51 Å²	51	42.7 Å²	42.7	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-139.5	162	171.4	89.2	0	0	0	0	111.3	E209 T210	S207-E209 PolarHBondContact O-N 3.3Å; S207-E209 PolarHBondContact OG-N 3.15Å; S207-T210 VanDerWaalsContact O-O 3.05Å; S207-T210 PolarHBondContact OG-N 2.94Å; S207-T210 PolarHBondContact OG-OG1 2.97Å
208	K	88	Confident	93.5	Very high	158 Å²	158	43.4 Å²	43.4	69%	0.687	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.7	175.1	-65.9	-176.1	178.5	-178.8	0	113.4
209	E	90.5	Very high	93.6	Very high	167 Å²	167	39.9 Å²	39.9	78%	0.78	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.3	-176.7	-61.8	-179.9	179	0	0	112.6	S207 A214	S207-E209 PolarHBondContact O-N 3.3Å; S207-E209 PolarHBondContact OG-N 3.15Å; E209-A214 VanDerWaalsContact C-CB 3.47Å; E209-A214 WeakPolarHBondContact O-CB 3.38Å
210	T	92.1	Very high	93.8	Very high	30 Å²	30	37.7 Å²	37.7	18%	0.184	22%	0.215	C	C	.	.	S	Bend	trans	-132.1	172.3	178.1	58.3	0	0	0	0	111.1	D204 S207 P213 A214	D204-T210 HydrophobicContact CB-CG2 4.23Å; S207-T210 VanDerWaalsContact O-O 3.05Å; S207-T210 PolarHBondContact OG-N 2.94Å; S207-T210 PolarHBondContact OG-OG1 2.97Å; T210-P213 WeakPolarHBondContact O-CD 3.41Å; T210-A214 PolarHBondContact O-N 3.33Å
211	G	94.6	Very high	93.9	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	66.9	-156	174.2	0	0	0	0	0	114.7	L201 D204 P213 A214 V215	L201-G211 WeakPolarHBondContact O-CA 3.4Å; L201-G211 PolarHBondContact O-N 3.04Å; D204-G211 WeakPolarHBondContact O-CA 3.48Å; D204-G211 PolarHBondContact O-N 3.39Å; D204-G211 VanDerWaalsContact O-N 3.12Å; G211-P213 VanDerWaalsContact C-CD 3.46Å; G211-A214 PolarHBondContact O-N 3.02Å; G211-V215 PolarHBondContact O-N 3.5Å
212	K	96.8	Very high	94	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.057	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-40.3	177	-55.8	-175.9	174	173.5	0	112.9	D68 V158 A214 V215 I216 M230 D237 A240	D68-K212 IonicContact OD1-NZ 3.79Å; D68-K212 PolarHBondContact OD1-NZ 3.23Å; D68-K212 IonicContact OD2-NZ 3.61Å; D68-K212 PolarHBondContact OD2-NZ 2.95Å; V158-K212 HydrophobicContact CG1-CB 4.26Å; V158-K212 HydrophobicContact CG1-CG 3.96Å; V158-K212 WeakPolarHBondContact O-CE 3.29Å; K212-A214 PolarHBondContact O-N 2.79Å; K212-V215 PolarHBondContact O-N 3.27Å; K212-I216 WeakPolarHBondContact O-CG1 3.36Å; K212-I216 PolarHBondContact O-N 3.4Å; K212-I216 VanDerWaalsContact O-N 3.09Å; K212-M230 HydrophobicContact CD-CE 3.8Å; K212-D237 VanDerWaalsContact CD-OD1 3.25Å; K212-D237 WeakPolarHBondContact CD-OD1 3.42Å; K212-D237 WeakPolarHBondContact CE-OD1 3.42Å; K212-D237 VanDerWaalsContact NZ-CG 3.27Å; K212-D237 IonicContact NZ-OD1 3.77Å; K212-D237 PolarHBondContact NZ-OD1 2.99Å; K212-D237 IonicContact NZ-OD2 3.35Å; K212-D237 PolarHBondContact NZ-OD2 2.64Å; K212-A240 HydrophobicContact CB-CB 3.87Å
213	P	97	Very high	94.1	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-44.7	175	-21.6	28.3	0	0	0	113.6	T210 G211 I216 A217 E239 A240 P243	T210-P213 WeakPolarHBondContact O-CD 3.41Å; G211-P213 VanDerWaalsContact C-CD 3.46Å; P213-I216 PolarHBondContact O-N 3.22Å; P213-A217 PolarHBondContact O-N 2.84Å; P213-E239 HydrophobicContact CG-CB 4.42Å; P213-E239 WeakPolarHBondContact CG-O 3.5Å; P213-A240 HydrophobicContact CG-CB 4.45Å; P213-P243 VanDerWaalsContact O-CG 3.27Å; P213-P243 WeakPolarHBondContact O-CG 3.18Å
214	A	97.5	Very high	94.3	Very high	9 Å²	9	57.4 Å²	57.4	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-37.3	-178.7	0	0	0	0	0	112.5	L201 E209 T210 G211 K212 A217 L218	L201-A214 HydrophobicContact CB-CB 4.4Å; L201-A214 HydrophobicContact CD1-CB 4.12Å; L201-A214 HydrophobicContact CD2-CB 3.97Å; L201-A214 HydrophobicContact CG-CB 4.4Å; E209-A214 VanDerWaalsContact C-CB 3.47Å; E209-A214 WeakPolarHBondContact O-CB 3.38Å; T210-A214 PolarHBondContact O-N 3.33Å; G211-A214 PolarHBondContact O-N 3.02Å; K212-A214 PolarHBondContact O-N 2.79Å; A214-A217 PolarHBondContact O-N 3.48Å; A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 PolarHBondContact O-N 3.49Å
215	V	97.9	Very high	94.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-47.2	173.9	174	0	0	0	0	110.4	V158 Y181 L201 T202 G211 K212 A217 L218 L219	V158-V215 HydrophobicContact CG1-CB 3.89Å; V158-V215 HydrophobicContact CG1-CG1 3.83Å; V158-V215 HydrophobicContact CG1-CG2 3.96Å; V158-V215 HydrophobicContact CG2-CG1 3.79Å; Y181-V215 HydrophobicContact CD1-CG1 3.75Å; Y181-V215 HydrophobicContact CD1-CG2 4.04Å; Y181-V215 HydrophobicContact CD2-CG1 3.75Å; Y181-V215 HydrophobicContact CE1-CG1 4.29Å; Y181-V215 HydrophobicContact CE2-CG1 4.31Å; Y181-V215 HydrophobicContact CG-CB 4.46Å; Y181-V215 HydrophobicContact CG-CG1 3.44Å; Y181-V215 VanDerWaalsContact CG-CG1 3.44Å; Y181-V215 HydrophobicContact CG-CG2 4.15Å; L201-V215 HydrophobicContact CB-CG2 3.86Å; L201-V215 HydrophobicContact CD1-CG2 3.96Å; T202-V215 HydrophobicContact CG2-CG2 4.06Å; G211-V215 PolarHBondContact O-N 3.5Å; K212-V215 PolarHBondContact O-N 3.27Å; V215-A217 VanDerWaalsContact C-N 3.35Å; V215-A217 PolarHBondContact O-N 3.07Å; V215-L218 WeakPolarHBondContact O-CB 3.47Å; V215-L218 PolarHBondContact O-N 3.37Å; V215-L219 HydrophobicContact CG1-CD1 4.08Å; V215-L219 HydrophobicContact CG1-CG 4.36Å; V215-L219 VanDerWaalsContact O-CG 3.31Å; V215-L219 WeakPolarHBondContact O-CG 3.36Å; V215-L219 PolarHBondContact O-N 2.89Å
216	I	98	Very high	95.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-41.2	179.2	-63.5	-179.9	0	0	0	111.1	C66 K212 P213 L218 L219 K220 V228 M230 A240 P243 A244	C66-I216 HydrophobicContact CB-CD1 4.49Å; K212-I216 WeakPolarHBondContact O-CG1 3.36Å; K212-I216 PolarHBondContact O-N 3.4Å; K212-I216 VanDerWaalsContact O-N 3.09Å; P213-I216 PolarHBondContact O-N 3.22Å; I216-L218 VanDerWaalsContact C-N 3.34Å; I216-L218 PolarHBondContact O-N 3Å; I216-L219 PolarHBondContact O-N 2.94Å; I216-K220 HydrophobicContact CG2-CD 4.22Å; I216-K220 HydrophobicContact CG2-CG 4.46Å; I216-K220 WeakPolarHBondContact O-CG 3.25Å; I216-K220 PolarHBondContact O-N 2.79Å; I216-V228 HydrophobicContact CG2-CB 4.2Å; I216-V228 HydrophobicContact CG2-CG1 3.9Å; I216-M230 HydrophobicContact CD1-CB 4.01Å; I216-M230 HydrophobicContact CD1-CG 4.34Å; I216-M230 HydrophobicContact CD1-SD 4.02Å; I216-A240 HydrophobicContact CD1-CB 3.69Å; I216-P243 HydrophobicContact CB-CG 3.96Å; I216-P243 HydrophobicContact CG2-CB 4.47Å; I216-P243 HydrophobicContact CG2-CG 3.86Å; I216-A244 HydrophobicContact CD1-CB 3.77Å; I216-A244 HydrophobicContact CG2-CB 4.23Å
217	A	97.8	Very high	95.8	Very high	44 Å²	44	63.2 Å²	63.2	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-44.1	174	0	0	0	0	0	112.2	P213 A214 V215 K221 P243	P213-A217 PolarHBondContact O-N 2.84Å; A214-A217 PolarHBondContact O-N 3.48Å; V215-A217 VanDerWaalsContact C-N 3.35Å; V215-A217 PolarHBondContact O-N 3.07Å; A217-K221 WeakPolarHBondContact O-CB 3.19Å; A217-K221 PolarHBondContact O-N 3.16Å; A217-P243 HydrophobicContact CB-CG 4.08Å
218	L	97.5	Very high	96.4	Very high	59 Å²	59	60.8 Å²	60.8	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-47.7	175.8	176.3	66.8	0	0	0	111.1	Y181 L201 A214 V215 I216 K221 M222	Y181-L218 HydrophobicContact CE1-CD2 3.84Å; L201-L218 HydrophobicContact CD1-CB 4.42Å; L201-L218 HydrophobicContact CD1-CD2 4Å; A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 PolarHBondContact O-N 3.49Å; V215-L218 WeakPolarHBondContact O-CB 3.47Å; V215-L218 PolarHBondContact O-N 3.37Å; I216-L218 VanDerWaalsContact C-N 3.34Å; I216-L218 PolarHBondContact O-N 3Å; L218-K221 PolarHBondContact O-N 2.93Å; L218-M222 HydrophobicContact CD1-CE 3.8Å; L218-M222 HydrophobicContact CD2-CE 4.31Å; L218-M222 HydrophobicContact CG-CE 4Å; L218-M222 WeakPolarHBondContact O-CB 3.36Å; L218-M222 PolarHBondContact O-N 3.42Å
219	L	98	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-47.1	-179.8	-69.6	177.3	0	0	0	112.2	Y156 Y181 V215 I216 K221 M222 Y223 Y225	Y156-L219 HydrophobicContact CD1-CD1 3.83Å; Y156-L219 HydrophobicContact CD1-CD2 3.91Å; Y156-L219 HydrophobicContact CD2-CD1 3.98Å; Y156-L219 HydrophobicContact CE1-CD1 4.06Å; Y156-L219 HydrophobicContact CE1-CD2 3.37Å; Y156-L219 HydrophobicContact CE1-CG 4.37Å; Y156-L219 HydrophobicContact CE2-CD1 4.19Å; Y156-L219 HydrophobicContact CE2-CD2 4.33Å; Y156-L219 HydrophobicContact CG-CD1 3.78Å; Y181-L219 HydrophobicContact CE2-CD1 4.46Å; Y181-L219 HydrophobicContact CE2-CD2 3.77Å; Y181-L219 HydrophobicContact CE2-CG 4.4Å; Y181-L219 WeakPolarHBondContact OH-CD2 3.27Å; V215-L219 HydrophobicContact CG1-CD1 4.08Å; V215-L219 HydrophobicContact CG1-CG 4.36Å; V215-L219 VanDerWaalsContact O-CG 3.31Å; V215-L219 WeakPolarHBondContact O-CG 3.36Å; V215-L219 PolarHBondContact O-N 2.89Å; I216-L219 PolarHBondContact O-N 2.94Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.31Å; L219-M222 PolarHBondContact O-N 3.3Å; L219-Y223 HydrophobicContact CD2-CD2 4.04Å; L219-Y223 HydrophobicContact CD2-CE2 3.8Å; L219-Y223 PolarHBondContact O-N 3.26Å; L219-Y225 HydrophobicContact CB-CD2 4.24Å; L219-Y225 HydrophobicContact CB-CE2 4.26Å
220	K	98	Very high	97.3	Very high	47 Å²	47	45.3 Å²	45.3	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-42.3	176.2	-71.2	-177.1	76.8	147.9	0	111.2	I216 N224 V228 P243 D245	I216-K220 HydrophobicContact CG2-CD 4.22Å; I216-K220 HydrophobicContact CG2-CG 4.46Å; I216-K220 WeakPolarHBondContact O-CG 3.25Å; I216-K220 PolarHBondContact O-N 2.79Å; K220-N224 WeakPolarHBondContact O-CA 3.45Å; K220-N224 PolarHBondContact O-N 2.99Å; K220-V228 HydrophobicContact CD-CB 4.45Å; K220-V228 HydrophobicContact CD-CG2 4.06Å; K220-V228 HydrophobicContact CG-CB 4.38Å; K220-V228 HydrophobicContact CG-CG2 3.54Å; K220-P243 PolarHBondContact NZ-O 2.86Å; K220-P243 VanDerWaalsContact NZ-O 3.11Å; K220-D245 IonicContact NZ-OD1 3.62Å; K220-D245 PolarHBondContact NZ-OD1 2.93Å; K220-D245 IonicContact NZ-OD2 2.74Å; K220-D245 PolarHBondContact NZ-OD2 3.17Å
221	K	97.6	Very high	97.6	Very high	185 Å²	185	43.9 Å²	43.9	80%	0.804	21%	0.214	S	C	*	.	H	α-helix	trans	-69.8	-44.2	178.1	-175.8	179.4	178.5	-177.9	0	112.9	A217 L218 L219	A217-K221 WeakPolarHBondContact O-CB 3.19Å; A217-K221 PolarHBondContact O-N 3.16Å; L218-K221 PolarHBondContact O-N 2.93Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.31Å
222	M	97.2	Very high	97.8	Very high	101 Å²	101	43.7 Å²	43.7	50%	0.498	21%	0.212	S	C	.	.	H	α-helix	trans	-71.1	-40	-173.1	-175	-178.9	-62.5	0	0	112.2	L218 L219	L218-M222 HydrophobicContact CD1-CE 3.8Å; L218-M222 HydrophobicContact CD2-CE 4.31Å; L218-M222 HydrophobicContact CG-CE 4Å; L218-M222 WeakPolarHBondContact O-CB 3.36Å; L218-M222 PolarHBondContact O-N 3.42Å; L219-M222 PolarHBondContact O-N 3.3Å
223	Y	97.4	Very high	97.8	Very high	105 Å²	105	43.1 Å²	43.1	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-111.7	0.1	-174.3	-59.8	-72.1	0	0	0	113.8	Y156 L219 Y225	Y156-Y223 WeakPolarHBondContact OH-CD2 3.33Å; Y156-Y223 VanDerWaalsContact OH-CE2 3.29Å; Y156-Y223 WeakPolarHBondContact OH-CE2 3.26Å; L219-Y223 HydrophobicContact CD2-CD2 4.04Å; L219-Y223 HydrophobicContact CD2-CE2 3.8Å; L219-Y223 PolarHBondContact O-N 3.26Å; Y223-Y225 VanDerWaalsContact CB-CZ 3.48Å; Y223-Y225 AromaticContact CD2-CE2 3.66Å; Y223-Y225 HydrophobicContact CD2-CE2 3.66Å; Y223-Y225 AromaticContact CD2-CZ 3.99Å; Y223-Y225 AromaticContact CG-CE2 3.89Å; Y223-Y225 HydrophobicContact CG-CE2 3.89Å; Y223-Y225 AromaticContact CG-CZ 3.84Å; Y223-Y225 PolarHBondContact O-N 2.9Å
224	N	97	Very high	97.7	Very high	130 Å²	130	43.1 Å²	43.1	70%	0.695	21%	0.211	S	C	*	.			trans	55.5	36.5	-177.8	-163.7	58.2	0	0	0	113.3	K220 K226	K220-N224 WeakPolarHBondContact O-CA 3.45Å; K220-N224 PolarHBondContact O-N 2.99Å; N224-K226 PolarHBondContact O-N 3.1Å
225	Y	98	Very high	97.5	Very high	23 Å²	23	45 Å²	45	9%	0.09	23%	0.226	C	C	.	.			trans	-61.9	128.5	173.1	-62.8	-50.5	0	0	0	110.1	D63 A64 H154 Y156 L219 Y223 V228	D63-Y225 HydrophobicContact CB-CD1 3.64Å; D63-Y225 HydrophobicContact CB-CE1 4.42Å; D63-Y225 HydrophobicContact CB-CG 4.31Å; A64-Y225 HydrophobicContact CB-CD1 4.16Å; A64-Y225 HydrophobicContact CB-CD2 3.83Å; A64-Y225 HydrophobicContact CB-CE1 4.1Å; A64-Y225 HydrophobicContact CB-CE2 3.76Å; A64-Y225 HydrophobicContact CB-CG 4.05Å; H154-Y225 AromaticContact ND1-CE1 3.61Å; H154-Y225 AromaticContact ND1-CZ 3.56Å; H154-Y225 PolarHBondContact ND1-OH 3.12Å; Y156-Y225 AromaticContact CE2-CE2 3.9Å; Y156-Y225 HydrophobicContact CE2-CE2 3.9Å; Y156-Y225 PolarHBondContact OH-OH 3.37Å; L219-Y225 HydrophobicContact CB-CD2 4.24Å; L219-Y225 HydrophobicContact CB-CE2 4.26Å; Y223-Y225 VanDerWaalsContact CB-CZ 3.48Å; Y223-Y225 AromaticContact CD2-CE2 3.66Å; Y223-Y225 HydrophobicContact CD2-CE2 3.66Å; Y223-Y225 AromaticContact CD2-CZ 3.99Å; Y223-Y225 AromaticContact CG-CE2 3.89Å; Y223-Y225 HydrophobicContact CG-CE2 3.89Å; Y223-Y225 AromaticContact CG-CZ 3.84Å; Y223-Y225 PolarHBondContact O-N 2.9Å; Y225-V228 HydrophobicContact CD2-CG2 4.04Å; Y225-V228 HydrophobicContact CG-CG2 4.11Å
226	K	97.3	Very high	97.2	Very high	167 Å²	167	46.8 Å²	46.8	73%	0.726	24%	0.237	S	C	*	.	S	Bend	trans	-80.8	-39.8	174.3	-62.6	179.4	-179.7	176.8	0	110.1	D63 N224	D63-K226 WeakPolarHBondContact OD2-CA 3.48Å; D63-K226 WeakPolarHBondContact OD2-CB 3.35Å; D63-K226 PolarHBondContact OD2-N 3.12Å; N224-K226 PolarHBondContact O-N 3.1Å
227	T	97.8	Very high	97.1	Very high	28 Å²	28	46.8 Å²	46.8	17%	0.172	24%	0.237	C	C	.	.			trans	-125.7	113.6	-175.6	-48.2	0	0	0	0	111.1	V58 K61 A62 D63 A64 D245	V58-T227 HydrophobicContact CG1-CG2 3.47Å; V58-T227 VanDerWaalsContact CG1-CG2 3.47Å; V58-T227 WeakPolarHBondContact O-CG2 3.43Å; K61-T227 WeakPolarHBondContact O-CB 3.32Å; K61-T227 PolarHBondContact O-OG1 3.23Å; A62-T227 HydrophobicContact CB-CG2 4.5Å; D63-T227 PolarHBondContact N-O 2.88Å; D63-T227 PolarHBondContact OD2-N 3.32Å; A64-T227 PolarHBondContact N-O 2.91Å; T227-D245 WeakPolarHBondContact CA-OD2 3.24Å; T227-D245 HydrophobicContact CG2-CB 4.36Å
228	V	98.6	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.4	172.9	-174.1	0	0	0	0	110.1	A64 I216 K220 Y225 A244 D245	A64-V228 HydrophobicContact CB-CG1 4.48Å; A64-V228 HydrophobicContact CB-CG2 4.32Å; A64-V228 WeakPolarHBondContact O-CA 3.33Å; I216-V228 HydrophobicContact CG2-CB 4.2Å; I216-V228 HydrophobicContact CG2-CG1 3.9Å; K220-V228 HydrophobicContact CD-CB 4.45Å; K220-V228 HydrophobicContact CD-CG2 4.06Å; K220-V228 HydrophobicContact CG-CB 4.38Å; K220-V228 HydrophobicContact CG-CG2 3.54Å; Y225-V228 HydrophobicContact CD2-CG2 4.04Å; Y225-V228 HydrophobicContact CG-CG2 4.11Å; V228-A244 CarbonylContact O-C 3.53Å; V228-D245 PolarHBondContact N-OD2 3.4Å; V228-D245 PolarHBondContact O-N 3.19Å
229	V	98.7	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.3	177.6	-175.7	0	0	0	0	110.3	V58 W59 A62 A64 V65 C66 V231 A246 I248	V58-V229 HydrophobicContact CG1-CG2 4.11Å; W59-V229 HydrophobicContact CE3-CB 4.33Å; W59-V229 HydrophobicContact CE3-CG1 4.02Å; W59-V229 HydrophobicContact CE3-CG2 4.4Å; W59-V229 HydrophobicContact CZ3-CG1 4.44Å; A62-V229 HydrophobicContact CB-CG2 3.75Å; A64-V229 PolarHBondContact O-N 3.39Å; V65-V229 WeakPolarHBondContact CA-O 3.35Å; V65-V229 HydrophobicContact CG2-CB 4.46Å; C66-V229 PolarHBondContact N-O 3.47Å; V229-V231 HydrophobicContact CG1-CG2 4.29Å; V229-A246 HydrophobicContact CG1-CB 4.12Å; V229-A246 HydrophobicContact CG2-CB 4.17Å; V229-I248 HydrophobicContact CG1-CD1 3.79Å; V229-I248 HydrophobicContact CG1-CG1 3.95Å
230	M	98.6	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.7	170.1	-175.1	64.1	-161.7	0	0	110.4	C66 D68 K212 I216 D237 A240 A244 A246 F247 I248	C66-M230 HydrophobicContact CB-SD 3.64Å; C66-M230 WeakPolarHBondContact O-CA 3.35Å; C66-M230 VanDerWaalsContact O-SD 3.39Å; D68-M230 HydrophobicContact CB-CE 4.25Å; K212-M230 HydrophobicContact CD-CE 3.8Å; I216-M230 HydrophobicContact CD1-CB 4.01Å; I216-M230 HydrophobicContact CD1-CG 4.34Å; I216-M230 HydrophobicContact CD1-SD 4.02Å; M230-D237 HydrophobicContact CE-CB 4.03Å; M230-D237 WeakPolarHBondContact CE-OD1 3.46Å; M230-D237 HydrophobicContact CG-CB 4.37Å; M230-A240 HydrophobicContact CB-CB 4.41Å; M230-A240 HydrophobicContact CG-CB 4Å; M230-A240 HydrophobicContact SD-CB 4.5Å; M230-A244 HydrophobicContact CB-CB 4.02Å; M230-A246 PolarHBondContact N-O 3.34Å; M230-F247 HydrophobicContact CB-CD2 4.19Å; M230-F247 HydrophobicContact CG-CD2 4.1Å; M230-F247 CarbonylContact O-C 3.57Å; M230-F247 WeakPolarHBondContact O-CA 3.22Å; M230-I248 PolarHBondContact O-N 3.4Å
231	V	98.7	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.7	174.5	-172	0	0	0	0	109.4	W59 V65 C66 F67 D68 V229 I248 F250 F270 L273	W59-V231 HydrophobicContact CZ3-CG2 4.26Å; V65-V231 HydrophobicContact CG1-CG2 3.9Å; C66-V231 PolarHBondContact O-N 3.25Å; F67-V231 WeakPolarHBondContact CA-O 3.45Å; F67-V231 HydrophobicContact CD1-CB 3.61Å; F67-V231 HydrophobicContact CD1-CG1 3.9Å; F67-V231 HydrophobicContact CD1-CG2 4.17Å; F67-V231 HydrophobicContact CE1-CB 3.73Å; F67-V231 HydrophobicContact CE1-CG1 3.84Å; F67-V231 HydrophobicContact CE1-CG2 3.85Å; F67-V231 HydrophobicContact CG-CB 4.44Å; F67-V231 HydrophobicContact CZ-CG2 4.35Å; D68-V231 PolarHBondContact N-O 3.03Å; V229-V231 HydrophobicContact CG1-CG2 4.29Å; V231-I248 WeakPolarHBondContact CA-O 3.35Å; V231-I248 HydrophobicContact CG1-CB 4.44Å; V231-I248 HydrophobicContact CG2-CB 4.21Å; V231-I248 HydrophobicContact CG2-CD1 4.33Å; V231-F250 HydrophobicContact CG1-CB 4.41Å; V231-F270 HydrophobicContact CG1-CE1 4.29Å; V231-L273 HydrophobicContact CG1-CD1 4.33Å
232	G	98.4	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	166.1	-179.6	0	0	0	0	0	113.7	T72 F247 I248 G249 F250	T72-G232 WeakPolarHBondContact OG1-CA 3.45Å; G232-F247 WeakPolarHBondContact O-CZ 3.17Å; G232-I248 PolarHBondContact N-O 2.77Å; G232-G249 WeakPolarHBondContact O-CA 3.25Å; G232-F250 PolarHBondContact O-N 2.94Å
233	D	97.7	Very high	96.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-96.7	-17	-178.3	73.1	-67.5	0	0	0	113.5	S71 T72 F250 R256 V259	S71-D233 VanDerWaalsContact CB-CG 3.5Å; S71-D233 WeakPolarHBondContact CB-OD1 3.12Å; S71-D233 WeakPolarHBondContact CB-OD2 3Å; T72-D233 PolarHBondContact OG1-N 3.32Å; T72-D233 VanDerWaalsContact OG1-N 3.17Å; T72-D233 PolarHBondContact OG1-OD1 2.93Å; D233-F250 VanDerWaalsContact CA-O 3.27Å; D233-F250 WeakPolarHBondContact CA-O 3.5Å; D233-F250 WeakPolarHBondContact CB-O 3.31Å; D233-R256 WeakPolarHBondContact O-CD 3.25Å; D233-R256 IonicContact OD2-CZ 2.77Å; D233-R256 IonicContact OD2-NE 3.53Å; D233-R256 PolarHBondContact OD2-NE 2.75Å; D233-R256 IonicContact OD2-NH2 2.87Å; D233-R256 PolarHBondContact OD2-NH2 3.01Å; D233-V259 VanDerWaalsContact O-CG2 3.32Å; D233-V259 WeakPolarHBondContact O-CG2 3.35Å
234	G	94.1	Very high	96.5	Very high	7 Å²	7	34.5 Å²	34.5	7%	0.072	19%	0.194	C	C	.	.	S	Bend	trans	-94.3	167.1	-167.6	0	0	0	0	0	115.9	T236 D237 V238 V259	G234-T236 VanDerWaalsContact C-N 3.31Å; G234-D237 VanDerWaalsContact C-OD2 3.32Å; G234-D237 WeakPolarHBondContact CA-OD2 3.32Å; G234-D237 PolarHBondContact N-OD2 3.02Å; G234-D237 WeakPolarHBondContact O-CB 3.33Å; G234-D237 PolarHBondContact O-N 3.4Å; G234-V238 PolarHBondContact O-N 2.83Å; G234-V259 VanDerWaalsContact C-CG2 3.48Å; G234-V259 WeakPolarHBondContact O-CG2 3.19Å
235	A	92.3	Very high	96.6	Very high	48 Å²	48	31.6 Å²	31.6	40%	0.397	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-35.2	174.9	0	0	0	0	0	112.1	D237 V238 E239	A235-D237 PolarHBondContact O-N 3.01Å; A235-V238 WeakPolarHBondContact O-CB 3.42Å; A235-V238 PolarHBondContact O-N 3.45Å; A235-E239 WeakPolarHBondContact O-CG 3.44Å; A235-E239 PolarHBondContact O-N 3.26Å; A235-E239 VanDerWaalsContact O-N 3.15Å
236	T	92.6	Very high	96.6	Very high	38 Å²	38	30.7 Å²	30.7	23%	0.233	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-24.2	177.1	51.3	0	0	0	0	113.3	G234	G234-T236 VanDerWaalsContact C-N 3.31Å
237	D	96.8	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-78.5	-41	178.9	-52.5	-81.6	0	0	0	110.8	D68 K212 M230 G234 A235 E239 A240 F247	D68-D237 WeakPolarHBondContact CB-OD1 3.48Å; K212-D237 VanDerWaalsContact CD-OD1 3.25Å; K212-D237 WeakPolarHBondContact CD-OD1 3.42Å; K212-D237 WeakPolarHBondContact CE-OD1 3.42Å; K212-D237 VanDerWaalsContact NZ-CG 3.27Å; K212-D237 IonicContact NZ-OD1 3.77Å; K212-D237 PolarHBondContact NZ-OD1 2.99Å; K212-D237 IonicContact NZ-OD2 3.35Å; K212-D237 PolarHBondContact NZ-OD2 2.64Å; M230-D237 HydrophobicContact CE-CB 4.03Å; M230-D237 WeakPolarHBondContact CE-OD1 3.46Å; M230-D237 HydrophobicContact CG-CB 4.37Å; G234-D237 VanDerWaalsContact C-OD2 3.32Å; G234-D237 WeakPolarHBondContact CA-OD2 3.32Å; G234-D237 PolarHBondContact N-OD2 3.02Å; G234-D237 WeakPolarHBondContact O-CB 3.33Å; G234-D237 PolarHBondContact O-N 3.4Å; A235-D237 PolarHBondContact O-N 3.01Å; D237-E239 VanDerWaalsContact C-N 3.27Å; D237-E239 PolarHBondContact O-N 2.62Å; D237-A240 VanDerWaalsContact O-CB 3.31Å; D237-A240 WeakPolarHBondContact O-CB 3.34Å; D237-A240 PolarHBondContact O-N 3.41Å; D237-A240 VanDerWaalsContact O-N 3.13Å; D237-F247 HydrophobicContact CB-CD2 4.28Å; D237-F247 HydrophobicContact CB-CE2 3.48Å; D237-F247 VanDerWaalsContact CB-CE2 3.48Å; D237-F247 HydrophobicContact CB-CZ 4.14Å; D237-F247 WeakPolarHBondContact O-CD2 3.36Å
238	V	95.3	Very high	96.6	Very high	24 Å²	24	22 Å²	22	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-58.6	-43.9	171.2	-176.1	0	0	0	0	110.3	G234 A235 A240 S241 F247 V259 R262	G234-V238 PolarHBondContact O-N 2.83Å; A235-V238 WeakPolarHBondContact O-CB 3.42Å; A235-V238 PolarHBondContact O-N 3.45Å; V238-A240 PolarHBondContact O-N 2.87Å; V238-A240 VanDerWaalsContact O-N 3.13Å; V238-S241 PolarHBondContact O-N 3.46Å; V238-S241 VanDerWaalsContact O-N 3.15Å; V238-F247 HydrophobicContact CB-CD1 4.48Å; V238-F247 HydrophobicContact CB-CE1 4.27Å; V238-F247 HydrophobicContact CG2-CD1 4.1Å; V238-F247 HydrophobicContact CG2-CE1 3.46Å; V238-F247 VanDerWaalsContact CG2-CE1 3.46Å; V238-F247 HydrophobicContact CG2-CZ 3.71Å; V238-V259 HydrophobicContact CG2-CB 4.26Å; V238-V259 HydrophobicContact CG2-CG1 3.78Å; V238-V259 HydrophobicContact CG2-CG2 4.02Å; V238-R262 HydrophobicContact CG1-CB 4.04Å
239	E	93.7	Very high	96.6	Very high	91 Å²	91	22 Å²	22	43%	0.425	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.4	179.4	-72	171.6	-165.9	0	0	113.1	P213 A235 D237 S241	P213-E239 HydrophobicContact CG-CB 4.42Å; P213-E239 WeakPolarHBondContact CG-O 3.5Å; A235-E239 WeakPolarHBondContact O-CG 3.44Å; A235-E239 PolarHBondContact O-N 3.26Å; A235-E239 VanDerWaalsContact O-N 3.15Å; D237-E239 VanDerWaalsContact C-N 3.27Å; D237-E239 PolarHBondContact O-N 2.62Å; E239-S241 PolarHBondContact O-N 3.48Å
240	A	96.2	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.4	-179.4	0	0	0	0	0	113.7	K212 P213 I216 M230 D237 V238 P242 P243 A244	K212-A240 HydrophobicContact CB-CB 3.87Å; P213-A240 HydrophobicContact CG-CB 4.45Å; I216-A240 HydrophobicContact CD1-CB 3.69Å; M230-A240 HydrophobicContact CB-CB 4.41Å; M230-A240 HydrophobicContact CG-CB 4Å; M230-A240 HydrophobicContact SD-CB 4.5Å; D237-A240 VanDerWaalsContact O-CB 3.31Å; D237-A240 WeakPolarHBondContact O-CB 3.34Å; D237-A240 PolarHBondContact O-N 3.41Å; D237-A240 VanDerWaalsContact O-N 3.13Å; V238-A240 PolarHBondContact O-N 2.87Å; V238-A240 VanDerWaalsContact O-N 3.13Å; A240-P242 CarbonylContact C-O 3.55Å; A240-P242 CarbonylContact O-C 3.6Å; A240-P243 VanDerWaalsContact O-CD 3.25Å; A240-P243 WeakPolarHBondContact O-CD 3.26Å; A240-A244 VanDerWaalsContact O-CB 3.24Å; A240-A244 WeakPolarHBondContact O-CB 3.46Å; A240-A244 PolarHBondContact O-N 3.35Å
241	S	95.6	Very high	96.6	Very high	40 Å²	40	22.3 Å²	22.3	28%	0.28	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	107.9	172.2	-171.5	0	0	0	0	110.5	V238 E239 A244	V238-S241 PolarHBondContact O-N 3.46Å; V238-S241 VanDerWaalsContact O-N 3.15Å; E239-S241 PolarHBondContact O-N 3.48Å; S241-A244 PolarHBondContact OG-O 3.12Å
242	P	95.1	Very high	96.5	Very high	85 Å²	85	24.1 Å²	24.1	55%	0.552	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	cis	-74.2	156.8	-2.4	31.9	-36	0	0	0	112.9	A240	A240-P242 CarbonylContact C-O 3.55Å; A240-P242 CarbonylContact O-C 3.6Å
243	P	96.5	Very high	96.4	Very high	38 Å²	38	26.5 Å²	26.5	25%	0.247	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.1	-3.3	19.9	35.3	-36.7	0	0	0	116.7	P213 I216 A217 K220 A240	P213-P243 VanDerWaalsContact O-CG 3.27Å; P213-P243 WeakPolarHBondContact O-CG 3.18Å; I216-P243 HydrophobicContact CB-CG 3.96Å; I216-P243 HydrophobicContact CG2-CB 4.47Å; I216-P243 HydrophobicContact CG2-CG 3.86Å; A217-P243 HydrophobicContact CB-CG 4.08Å; K220-P243 PolarHBondContact NZ-O 2.86Å; K220-P243 VanDerWaalsContact NZ-O 3.11Å; A240-P243 VanDerWaalsContact O-CD 3.25Å; A240-P243 WeakPolarHBondContact O-CD 3.26Å
244	A	98	Very high	96.3	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.033	19%	0.185	C	C	.	.	S	Bend	trans	-60.3	140	168.3	0	0	0	0	0	110.1	I216 V228 M230 A240 S241 A246	I216-A244 HydrophobicContact CD1-CB 3.77Å; I216-A244 HydrophobicContact CG2-CB 4.23Å; V228-A244 CarbonylContact O-C 3.53Å; M230-A244 HydrophobicContact CB-CB 4.02Å; A240-A244 VanDerWaalsContact O-CB 3.24Å; A240-A244 WeakPolarHBondContact O-CB 3.46Å; A240-A244 PolarHBondContact O-N 3.35Å; S241-A244 PolarHBondContact OG-O 3.12Å; A244-A246 PolarHBondContact O-N 3.19Å
245	D	98.1	Very high	96.5	Very high	69 Å²	69	33 Å²	33	37%	0.369	20%	0.203	S	C	.	.	S	Bend	trans	-75.5	-21	-178.9	-54.2	-75.1	0	0	0	111.5	V58 K220 T227 V228	V58-D245 HydrophobicContact CG1-CB 3.88Å; K220-D245 IonicContact NZ-OD1 3.62Å; K220-D245 PolarHBondContact NZ-OD1 2.93Å; K220-D245 IonicContact NZ-OD2 2.74Å; K220-D245 PolarHBondContact NZ-OD2 3.17Å; T227-D245 WeakPolarHBondContact CA-OD2 3.24Å; T227-D245 HydrophobicContact CG2-CB 4.36Å; V228-D245 PolarHBondContact N-OD2 3.4Å; V228-D245 PolarHBondContact O-N 3.19Å
246	A	97.9	Very high	96.6	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.2	171	0	0	0	0	0	111.7	V55 V58 V229 M230 A244	V55-A246 HydrophobicContact CG1-CB 3.89Å; V58-A246 HydrophobicContact CB-CB 3.99Å; V58-A246 HydrophobicContact CG1-CB 3.57Å; V229-A246 HydrophobicContact CG1-CB 4.12Å; V229-A246 HydrophobicContact CG2-CB 4.17Å; M230-A246 PolarHBondContact N-O 3.34Å; A244-A246 PolarHBondContact O-N 3.19Å
247	F	98.2	Very high	96.8	Very high	14 Å²	14	39.2 Å²	39.2	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.4	165.6	170.1	-108.8	0	0	0	109.8	M230 G232 D237 V238 V259 A263	M230-F247 HydrophobicContact CB-CD2 4.19Å; M230-F247 HydrophobicContact CG-CD2 4.1Å; M230-F247 CarbonylContact O-C 3.57Å; M230-F247 WeakPolarHBondContact O-CA 3.22Å; G232-F247 WeakPolarHBondContact O-CZ 3.17Å; D237-F247 HydrophobicContact CB-CD2 4.28Å; D237-F247 HydrophobicContact CB-CE2 3.48Å; D237-F247 VanDerWaalsContact CB-CE2 3.48Å; D237-F247 HydrophobicContact CB-CZ 4.14Å; D237-F247 WeakPolarHBondContact O-CD2 3.36Å; V238-F247 HydrophobicContact CB-CD1 4.48Å; V238-F247 HydrophobicContact CB-CE1 4.27Å; V238-F247 HydrophobicContact CG2-CD1 4.1Å; V238-F247 HydrophobicContact CG2-CE1 3.46Å; V238-F247 VanDerWaalsContact CG2-CE1 3.46Å; V238-F247 HydrophobicContact CG2-CZ 3.71Å; F247-V259 HydrophobicContact CE1-CG1 3.87Å; F247-V259 HydrophobicContact CZ-CG1 3.72Å; F247-A263 HydrophobicContact CD1-CB 4.12Å; F247-A263 HydrophobicContact CE1-CB 3.8Å
248	I	98.6	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.3	173.1	-56.2	175.4	0	0	0	107.5	V55 W59 V229 M230 V231 G232 W265 V267 L273	V55-I248 HydrophobicContact CG1-CG1 3.92Å; W59-I248 HydrophobicContact CB-CD1 4.28Å; W59-I248 HydrophobicContact CD2-CD1 3.84Å; W59-I248 HydrophobicContact CE3-CD1 3.55Å; W59-I248 HydrophobicContact CG-CD1 4.18Å; W59-I248 HydrophobicContact CZ3-CD1 4.14Å; V229-I248 HydrophobicContact CG1-CD1 3.79Å; V229-I248 HydrophobicContact CG1-CG1 3.95Å; M230-I248 PolarHBondContact O-N 3.4Å; V231-I248 WeakPolarHBondContact CA-O 3.35Å; V231-I248 HydrophobicContact CG1-CB 4.44Å; V231-I248 HydrophobicContact CG2-CB 4.21Å; V231-I248 HydrophobicContact CG2-CD1 4.33Å; G232-I248 PolarHBondContact N-O 2.77Å; I248-W265 WeakPolarHBondContact CA-O 3.39Å; I248-W265 HydrophobicContact CD1-CE3 3.53Å; I248-W265 HydrophobicContact CD1-CZ3 3.58Å; I248-W265 HydrophobicContact CG1-CE3 3.76Å; I248-W265 HydrophobicContact CG1-CZ3 4.34Å; I248-W265 HydrophobicContact CG2-CD2 4.39Å; I248-W265 HydrophobicContact CG2-CE3 4.28Å; I248-V267 HydrophobicContact CG2-CG2 4.09Å; I248-L273 HydrophobicContact CD1-CD2 4.14Å; I248-L273 HydrophobicContact CG2-CD1 4.26Å; I248-L273 HydrophobicContact CG2-CD2 3.95Å
249	G	98.4	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.1	176.3	0	0	0	0	0	110.8	G232 W265 Y266 V267	G232-G249 WeakPolarHBondContact O-CA 3.25Å; G249-W265 PolarHBondContact N-O 3.32Å; G249-Y266 WeakPolarHBondContact O-CA 3.46Å; G249-V267 PolarHBondContact O-N 3.26Å
250	F	98.6	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.5	175	-172.9	-106.5	0	0	0	110.7	T72 T138 V231 G232 D233 G252 Y266 V267 F270	T72-F250 HydrophobicContact CG2-CB 4.39Å; T72-F250 HydrophobicContact CG2-CD1 4.27Å; T72-F250 HydrophobicContact CG2-CG 4.47Å; T138-F250 HydrophobicContact CG2-CE1 3.86Å; T138-F250 HydrophobicContact CG2-CZ 3.58Å; V231-F250 HydrophobicContact CG1-CB 4.41Å; G232-F250 PolarHBondContact O-N 2.94Å; D233-F250 VanDerWaalsContact CA-O 3.27Å; D233-F250 WeakPolarHBondContact CA-O 3.5Å; D233-F250 WeakPolarHBondContact CB-O 3.31Å; F250-G252 VanDerWaalsContact CZ-CA 3.48Å; F250-Y266 PolarHBondContact O-OH 3.05Å; F250-V267 CarbonylContact C-O 3.45Å; F250-V267 WeakPolarHBondContact CA-O 3.39Å; F250-V267 HydrophobicContact CD2-CG2 4.04Å; F250-F270 HydrophobicContact CD1-CZ 4.08Å; F250-F270 HydrophobicContact CD2-CD1 4.07Å; F250-F270 AromaticContact CD2-CE1 3.59Å; F250-F270 HydrophobicContact CD2-CE1 3.59Å; F250-F270 HydrophobicContact CD2-CE2 4.33Å; F250-F270 AromaticContact CD2-CZ 3.74Å; F250-F270 HydrophobicContact CD2-CZ 3.74Å; F250-F270 AromaticContact CE1-CE2 3.94Å; F250-F270 HydrophobicContact CE1-CE2 3.94Å; F250-F270 AromaticContact CE1-CZ 3.93Å; F250-F270 HydrophobicContact CE1-CZ 3.93Å; F250-F270 AromaticContact CE2-CD1 3.84Å; F250-F270 HydrophobicContact CE2-CD1 3.84Å; F250-F270 AromaticContact CE2-CD2 3.89Å; F250-F270 HydrophobicContact CE2-CD2 3.89Å; F250-F270 AromaticContact CE2-CE1 3.68Å; F250-F270 HydrophobicContact CE2-CE1 3.68Å; F250-F270 AromaticContact CE2-CE2 3.72Å; F250-F270 HydrophobicContact CE2-CE2 3.72Å; F250-F270 AromaticContact CE2-CG 3.94Å; F250-F270 HydrophobicContact CE2-CG 3.94Å; F250-F270 AromaticContact CE2-CZ 3.61Å; F250-F270 HydrophobicContact CE2-CZ 3.61Å; F250-F270 HydrophobicContact CG-CE1 4.14Å; F250-F270 AromaticContact CG-CZ 3.98Å; F250-F270 HydrophobicContact CG-CZ 3.98Å; F250-F270 AromaticContact CZ-CD2 3.88Å; F250-F270 HydrophobicContact CZ-CD2 3.88Å; F250-F270 HydrophobicContact CZ-CE1 4.26Å; F250-F270 AromaticContact CZ-CE2 3.5Å; F250-F270 HydrophobicContact CZ-CE2 3.5Å; F250-F270 HydrophobicContact CZ-CG 4.4Å; F250-F270 AromaticContact CZ-CZ 3.71Å; F250-F270 HydrophobicContact CZ-CZ 3.71Å
251	G	97.7	Very high	96.7	Very high	5 Å²	5	44.7 Å²	44.7	5%	0.052	27%	0.266	C	S	.	.			trans	-137	19.1	-178.9	0	0	0	0	0	114.2	N253 I255 Y266 V267	G251-N253 VanDerWaalsContact C-N 3.33Å; G251-I255 WeakPolarHBondContact O-CG1 3.48Å; G251-Y266 WeakPolarHBondContact CA-OH 3.31Å; G251-V267 PolarHBondContact N-O 2.98Å
252	G	97.1	Very high	96.7	Very high	37 Å²	37	49 Å²	49	38%	0.381	28%	0.276	S	S	.	.	S	Bend	trans	-71	-26.9	-176.7	0	0	0	0	0	114	F250 T268	F250-G252 VanDerWaalsContact CZ-CA 3.48Å; G252-T268 WeakPolarHBondContact CA-O 3.28Å
253	N	96.8	Very high	96.7	Very high	51 Å²	51	45.6 Å²	45.6	27%	0.273	26%	0.256	S	S	.	.	S	Bend	trans	-104.9	-49	177.3	-56.9	-47.7	0	0	0	111.9	S71 C74 Q75 T138 G251	S71-N253 WeakPolarHBondContact O-CB 3.45Å; S71-N253 PolarHBondContact O-ND2 3.19Å; C74-N253 PolarHBondContact O-ND2 3.1Å; Q75-N253 WeakPolarHBondContact CG-OD1 3.24Å; T138-N253 PolarHBondContact OG1-ND2 2.84Å; G251-N253 VanDerWaalsContact C-N 3.33Å
254	V	95.4	Very high	96.6	Very high	55 Å²	55	48.5 Å²	48.5	33%	0.333	27%	0.265	S	S	.	.			trans	-135.2	122.3	-179.4	-177.8	0	0	0	0	109.7	R256	V254-R256 HydrophobicContact CG1-CG 4.13Å
255	I	96.7	Very high	96.6	Very high	88 Å²	88	48.6 Å²	48.6	45%	0.451	26%	0.264	S	S	.	.			trans	-87.3	115	173	-61	177	0	0	0	108.9	G251 E257 K260	G251-I255 WeakPolarHBondContact O-CG1 3.48Å; I255-E257 WeakPolarHBondContact CG2-OE1 3.47Å; I255-K260 HydrophobicContact CG2-CD 4.27Å
256	R	95.4	Very high	96.6	Very high	87 Å²	87	47.3 Å²	47.3	33%	0.328	26%	0.255	S	S	.	.			trans	-103.2	105.5	172.2	-55.1	-167.7	-162.9	-98.8	-0.2	109.3	E77 D233 V254 G258 V259 K260	E77-R256 IonicContact OE1-NH2 3.59Å; D233-R256 WeakPolarHBondContact O-CD 3.25Å; D233-R256 IonicContact OD2-CZ 2.77Å; D233-R256 IonicContact OD2-NE 3.53Å; D233-R256 PolarHBondContact OD2-NE 2.75Å; D233-R256 IonicContact OD2-NH2 2.87Å; D233-R256 PolarHBondContact OD2-NH2 3.01Å; V254-R256 HydrophobicContact CG1-CG 4.13Å; R256-G258 PolarHBondContact O-N 3.48Å; R256-G258 VanDerWaalsContact O-N 3.14Å; R256-V259 HydrophobicContact CB-CB 4.11Å; R256-V259 HydrophobicContact CB-CG2 3.97Å; R256-V259 WeakPolarHBondContact O-CA 3.37Å; R256-V259 WeakPolarHBondContact O-CB 3.13Å; R256-V259 PolarHBondContact O-N 3.01Å; R256-K260 PolarHBondContact O-N 3.36Å
257	E	96	Very high	96.6	Very high	130 Å²	130	47.5 Å²	47.5	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-54.2	-38.5	-175.4	-67.9	-56.7	141.7	0	0	113.3	I255 V259 K260 A261	I255-E257 WeakPolarHBondContact CG2-OE1 3.47Å; E257-V259 VanDerWaalsContact C-N 3.28Å; E257-V259 PolarHBondContact O-N 3.28Å; E257-K260 PolarHBondContact O-N 3.03Å; E257-A261 WeakPolarHBondContact O-CB 3.32Å; E257-A261 PolarHBondContact O-N 3.03Å
258	G	94.3	Very high	96.6	Very high	39 Å²	39	50.9 Å²	50.9	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-31.5	175.8	0	0	0	0	0	113.8	R256 R262	R256-G258 PolarHBondContact O-N 3.48Å; R256-G258 VanDerWaalsContact O-N 3.14Å; G258-R262 WeakPolarHBondContact O-CG 3.46Å; G258-R262 PolarHBondContact O-NE 3.36Å; G258-R262 PolarHBondContact O-NH1 3.42Å
259	V	95.5	Very high	96.6	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-80.4	-44.8	176.9	176.2	0	0	0	0	110.1	D233 G234 V238 F247 R256 E257 A261 R262 A263 Y266	D233-V259 VanDerWaalsContact O-CG2 3.32Å; D233-V259 WeakPolarHBondContact O-CG2 3.35Å; G234-V259 VanDerWaalsContact C-CG2 3.48Å; G234-V259 WeakPolarHBondContact O-CG2 3.19Å; V238-V259 HydrophobicContact CG2-CB 4.26Å; V238-V259 HydrophobicContact CG2-CG1 3.78Å; V238-V259 HydrophobicContact CG2-CG2 4.02Å; F247-V259 HydrophobicContact CE1-CG1 3.87Å; F247-V259 HydrophobicContact CZ-CG1 3.72Å; R256-V259 HydrophobicContact CB-CB 4.11Å; R256-V259 HydrophobicContact CB-CG2 3.97Å; R256-V259 WeakPolarHBondContact O-CA 3.37Å; R256-V259 WeakPolarHBondContact O-CB 3.13Å; R256-V259 PolarHBondContact O-N 3.01Å; E257-V259 VanDerWaalsContact C-N 3.28Å; E257-V259 PolarHBondContact O-N 3.28Å; V259-A261 PolarHBondContact O-N 3.37Å; V259-R262 PolarHBondContact O-N 2.91Å; V259-A263 WeakPolarHBondContact O-CB 3.19Å; V259-A263 PolarHBondContact O-N 2.83Å; V259-Y266 HydrophobicContact CG1-CE2 4.28Å
260	K	96.4	Very high	96.6	Very high	98 Å²	98	54.2 Å²	54.2	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-54.5	-40.2	174.9	-175.3	177.4	177.8	-177.4	0	112.6	I255 R256 E257 R262 Y266	I255-K260 HydrophobicContact CG2-CD 4.27Å; R256-K260 PolarHBondContact O-N 3.36Å; E257-K260 PolarHBondContact O-N 3.03Å; K260-R262 VanDerWaalsContact C-N 3.32Å; K260-R262 PolarHBondContact O-N 3.34Å; K260-Y266 HydrophobicContact CB-CD1 4.45Å; K260-Y266 HydrophobicContact CB-CD2 4.02Å; K260-Y266 HydrophobicContact CB-CE1 4.24Å; K260-Y266 HydrophobicContact CB-CE2 3.82Å; K260-Y266 HydrophobicContact CB-CG 4.34Å; K260-Y266 HydrophobicContact CD-CD1 4.36Å; K260-Y266 HydrophobicContact CD-CE1 4.18Å; K260-Y266 HydrophobicContact CG-CD1 3.93Å; K260-Y266 HydrophobicContact CG-CD2 4.21Å; K260-Y266 HydrophobicContact CG-CE1 4.03Å; K260-Y266 HydrophobicContact CG-CE2 4.34Å; K260-Y266 HydrophobicContact CG-CG 4.01Å
261	A	95	Very high	96.5	Very high	90 Å²	90	55.9 Å²	55.9	74%	0.744	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.1	177.5	0	0	0	0	0	114.3	E257 V259	E257-A261 WeakPolarHBondContact O-CB 3.32Å; E257-A261 PolarHBondContact O-N 3.03Å; V259-A261 PolarHBondContact O-N 3.37Å
262	R	94.2	Very high	96.5	Very high	130 Å²	130	58.8 Å²	58.8	49%	0.491	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-21.5	-178.5	-68.7	-170.3	-56.1	-98.5	6.1	113.6	V238 G258 V259 K260 K264	V238-R262 HydrophobicContact CG1-CB 4.04Å; G258-R262 WeakPolarHBondContact O-CG 3.46Å; G258-R262 PolarHBondContact O-NE 3.36Å; G258-R262 PolarHBondContact O-NH1 3.42Å; V259-R262 PolarHBondContact O-N 2.91Å; K260-R262 VanDerWaalsContact C-N 3.32Å; K260-R262 PolarHBondContact O-N 3.34Å; R262-K264 PolarHBondContact O-N 3.49Å
263	A	95.8	Very high	96.5	Very high	15 Å²	15	57 Å²	57	12%	0.124	30%	0.302	C	S	.	.			trans	-74.8	122.2	178.5	0	0	0	0	0	110.5	F247 V259 W265 Y266	F247-A263 HydrophobicContact CD1-CB 4.12Å; F247-A263 HydrophobicContact CE1-CB 3.8Å; V259-A263 WeakPolarHBondContact O-CB 3.19Å; V259-A263 PolarHBondContact O-N 2.83Å; A263-W265 PolarHBondContact O-N 3.32Å; A263-Y266 HydrophobicContact CB-CD2 3.9Å
264	K	95.4	Very high	96.6	Very high	98 Å²	98	57.7 Å²	57.7	43%	0.426	30%	0.301	S	S	.	.	S	Bend	trans	-66.7	-28.5	171.3	-77	-175.8	168.5	-167.4	0	112.2	H51 E54 V55 R262	H51-K264 HydrophobicContact CB-CB 4.24Å; H51-K264 HydrophobicContact CB-CD 3.94Å; H51-K264 HydrophobicContact CB-CG 3.96Å; E54-K264 IonicContact OE2-NZ 2.79Å; E54-K264 PolarHBondContact OE2-NZ 3.5Å; V55-K264 HydrophobicContact CG2-CB 3.56Å; V55-K264 HydrophobicContact CG2-CD 4.03Å; V55-K264 HydrophobicContact CG2-CG 4.47Å; R262-K264 PolarHBondContact O-N 3.49Å
265	W	97.5	Very high	96.6	Very high	6 Å²	6	61 Å²	61	2%	0.023	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.2	168.8	-173	24.6	0	0	0	109.2	E52 V55 K56 W59 I248 G249 A263 V267 V272 L273 D276	E52-W265 HydrophobicContact CG-CB 4.13Å; E52-W265 HydrophobicContact CG-CG 3.93Å; V55-W265 HydrophobicContact CB-CB 4.02Å; V55-W265 HydrophobicContact CG1-CB 3.83Å; V55-W265 HydrophobicContact CG1-CE3 3.85Å; K56-W265 HydrophobicContact CG-CD2 4.1Å; K56-W265 HydrophobicContact CG-CE3 4Å; K56-W265 HydrophobicContact CG-CH2 3.8Å; K56-W265 HydrophobicContact CG-CZ2 3.9Å; K56-W265 HydrophobicContact CG-CZ3 3.86Å; W59-W265 HydrophobicContact CB-CZ3 3.76Å; W59-W265 AromaticContact CD1-CH2 3.71Å; W59-W265 AromaticContact CD1-CZ3 3.62Å; W59-W265 HydrophobicContact CD2-CZ3 4.29Å; W59-W265 HydrophobicContact CG-CH2 4.17Å; W59-W265 AromaticContact CG-CZ3 3.61Å; W59-W265 HydrophobicContact CG-CZ3 3.61Å; I248-W265 WeakPolarHBondContact CA-O 3.39Å; I248-W265 HydrophobicContact CD1-CE3 3.53Å; I248-W265 HydrophobicContact CD1-CZ3 3.58Å; I248-W265 HydrophobicContact CG1-CE3 3.76Å; I248-W265 HydrophobicContact CG1-CZ3 4.34Å; I248-W265 HydrophobicContact CG2-CD2 4.39Å; I248-W265 HydrophobicContact CG2-CE3 4.28Å; G249-W265 PolarHBondContact N-O 3.32Å; A263-W265 PolarHBondContact O-N 3.32Å; W265-V267 HydrophobicContact CD2-CG1 4.46Å; W265-V267 HydrophobicContact CZ2-CG1 4.26Å; W265-V272 HydrophobicContact CZ2-CG1 4.26Å; W265-L273 HydrophobicContact CD2-CD2 4.37Å; W265-L273 HydrophobicContact CE3-CD2 4.19Å; W265-L273 HydrophobicContact CH2-CD2 3.34Å; W265-L273 HydrophobicContact CZ2-CD2 3.52Å; W265-L273 HydrophobicContact CZ3-CD2 3.7Å; W265-D276 HydrophobicContact CH2-CB 3.92Å; W265-D276 HydrophobicContact CZ2-CB 4.33Å
266	Y	97.8	Very high	96.6	Very high	43 Å²	43	57.6 Å²	57.6	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.7	-177.9	-166.6	-92	0	0	0	109.9	G249 F250 G251 V259 K260 A263 T268	G249-Y266 WeakPolarHBondContact O-CA 3.46Å; F250-Y266 PolarHBondContact O-OH 3.05Å; G251-Y266 WeakPolarHBondContact CA-OH 3.31Å; V259-Y266 HydrophobicContact CG1-CE2 4.28Å; K260-Y266 HydrophobicContact CB-CD1 4.45Å; K260-Y266 HydrophobicContact CB-CD2 4.02Å; K260-Y266 HydrophobicContact CB-CE1 4.24Å; K260-Y266 HydrophobicContact CB-CE2 3.82Å; K260-Y266 HydrophobicContact CB-CG 4.34Å; K260-Y266 HydrophobicContact CD-CD1 4.36Å; K260-Y266 HydrophobicContact CD-CE1 4.18Å; K260-Y266 HydrophobicContact CG-CD1 3.93Å; K260-Y266 HydrophobicContact CG-CD2 4.21Å; K260-Y266 HydrophobicContact CG-CE1 4.03Å; K260-Y266 HydrophobicContact CG-CE2 4.34Å; K260-Y266 HydrophobicContact CG-CG 4.01Å; A263-Y266 HydrophobicContact CB-CD2 3.9Å; Y266-T268 HydrophobicContact CE1-CG2 4.19Å
267	V	98.1	Very high	96.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.8	-177.8	-59.1	0	0	0	0	111.1	I248 G249 F250 G251 W265 V272 L273	I248-V267 HydrophobicContact CG2-CG2 4.09Å; G249-V267 PolarHBondContact O-N 3.26Å; F250-V267 CarbonylContact C-O 3.45Å; F250-V267 WeakPolarHBondContact CA-O 3.39Å; F250-V267 HydrophobicContact CD2-CG2 4.04Å; G251-V267 PolarHBondContact N-O 2.98Å; W265-V267 HydrophobicContact CD2-CG1 4.46Å; W265-V267 HydrophobicContact CZ2-CG1 4.26Å; V267-V272 HydrophobicContact CG1-CB 4.29Å; V267-V272 HydrophobicContact CG1-CG1 3.92Å; V267-L273 HydrophobicContact CB-CD2 4.45Å; V267-L273 HydrophobicContact CG1-CD2 3.8Å; V267-L273 HydrophobicContact CG2-CD1 4.1Å; V267-L273 HydrophobicContact CG2-CD2 3.93Å; V267-L273 HydrophobicContact CG2-CG 3.93Å
268	T	98.1	Very high	96.3	Very high	85 Å²	85	50.6 Å²	50.6	52%	0.521	27%	0.267	S	S	.	.	S	Bend	trans	-115.2	0.4	176.4	56.4	0	0	0	0	112.6	G252 Y266	G252-T268 WeakPolarHBondContact CA-O 3.28Å; Y266-T268 HydrophobicContact CE1-CG2 4.19Å
269	D	97.9	Very high	95.6	Very high	70 Å²	70	54.4 Å²	54.4	37%	0.374	27%	0.274	S	S	.	.			trans	-143.4	125.2	-178.6	-177.9	-5.8	0	0	0	108.6	D271 V272	D269-D271 PolarHBondContact O-N 2.92Å; D269-D271 VanDerWaalsContact OD1-CB 3.31Å; D269-D271 WeakPolarHBondContact OD1-CB 3.38Å; D269-D271 PolarHBondContact OD1-N 3.19Å; D269-V272 HydrophobicContact CB-CG2 4.28Å; D269-V272 WeakPolarHBondContact O-CB 3.22Å; D269-V272 PolarHBondContact O-N 2.8Å
270	F	98.3	Very high	93.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-22	178.2	-77.5	-53.1	0	0	0	112.9	F67 T72 T138 I141 L144 V231 F250 V272 L273 R274	F67-F270 HydrophobicContact CD1-CE1 4.48Å; F67-F270 HydrophobicContact CE1-CE1 4.06Å; T72-F270 HydrophobicContact CG2-CZ 4.04Å; T72-F270 WeakPolarHBondContact O-CE2 2.97Å; T72-F270 WeakPolarHBondContact O-CZ 3.29Å; T138-F270 HydrophobicContact CG2-CD2 3.77Å; T138-F270 HydrophobicContact CG2-CE2 3.52Å; I141-F270 HydrophobicContact CB-CD2 3.8Å; I141-F270 HydrophobicContact CB-CE2 3.91Å; I141-F270 HydrophobicContact CD1-CD1 4.29Å; I141-F270 HydrophobicContact CD1-CD2 4.1Å; I141-F270 HydrophobicContact CD1-CE1 4.08Å; I141-F270 HydrophobicContact CD1-CE2 3.86Å; I141-F270 HydrophobicContact CD1-CG 4.31Å; I141-F270 HydrophobicContact CD1-CZ 3.86Å; I141-F270 HydrophobicContact CG1-CD2 4.43Å; I141-F270 HydrophobicContact CG1-CE2 4.19Å; L144-F270 HydrophobicContact CB-CB 4.49Å; L144-F270 HydrophobicContact CD2-CB 4.07Å; L144-F270 HydrophobicContact CD2-CD1 3.49Å; L144-F270 VanDerWaalsContact CD2-CD1 3.49Å; L144-F270 HydrophobicContact CD2-CE1 4.22Å; L144-F270 HydrophobicContact CD2-CG 4.03Å; V231-F270 HydrophobicContact CG1-CE1 4.29Å; F250-F270 HydrophobicContact CD1-CZ 4.08Å; F250-F270 HydrophobicContact CD2-CD1 4.07Å; F250-F270 AromaticContact CD2-CE1 3.59Å; F250-F270 HydrophobicContact CD2-CE1 3.59Å; F250-F270 HydrophobicContact CD2-CE2 4.33Å; F250-F270 AromaticContact CD2-CZ 3.74Å; F250-F270 HydrophobicContact CD2-CZ 3.74Å; F250-F270 AromaticContact CE1-CE2 3.94Å; F250-F270 HydrophobicContact CE1-CE2 3.94Å; F250-F270 AromaticContact CE1-CZ 3.93Å; F250-F270 HydrophobicContact CE1-CZ 3.93Å; F250-F270 AromaticContact CE2-CD1 3.84Å; F250-F270 HydrophobicContact CE2-CD1 3.84Å; F250-F270 AromaticContact CE2-CD2 3.89Å; F250-F270 HydrophobicContact CE2-CD2 3.89Å; F250-F270 AromaticContact CE2-CE1 3.68Å; F250-F270 HydrophobicContact CE2-CE1 3.68Å; F250-F270 AromaticContact CE2-CE2 3.72Å; F250-F270 HydrophobicContact CE2-CE2 3.72Å; F250-F270 AromaticContact CE2-CG 3.94Å; F250-F270 HydrophobicContact CE2-CG 3.94Å; F250-F270 AromaticContact CE2-CZ 3.61Å; F250-F270 HydrophobicContact CE2-CZ 3.61Å; F250-F270 HydrophobicContact CG-CE1 4.14Å; F250-F270 AromaticContact CG-CZ 3.98Å; F250-F270 HydrophobicContact CG-CZ 3.98Å; F250-F270 AromaticContact CZ-CD2 3.88Å; F250-F270 HydrophobicContact CZ-CD2 3.88Å; F250-F270 HydrophobicContact CZ-CE1 4.26Å; F250-F270 AromaticContact CZ-CE2 3.5Å; F250-F270 HydrophobicContact CZ-CE2 3.5Å; F250-F270 HydrophobicContact CZ-CG 4.4Å; F250-F270 AromaticContact CZ-CZ 3.71Å; F250-F270 HydrophobicContact CZ-CZ 3.71Å; F270-V272 PolarHBondContact O-N 3.32Å; F270-L273 HydrophobicContact CD1-CD1 4.08Å; F270-L273 HydrophobicContact CE1-CD1 4.46Å; F270-L273 PolarHBondContact O-N 3.46Å; F270-L273 VanDerWaalsContact O-N 3.12Å; F270-R274 PolarHBondContact O-N 2.9Å
271	D	97.1	Very high	91.9	Very high	36 Å²	36	57.7 Å²	57.7	19%	0.193	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-27.4	176.9	-160.8	52.6	0	0	0	112.3	D269 R274 K275	D269-D271 PolarHBondContact O-N 2.92Å; D269-D271 VanDerWaalsContact OD1-CB 3.31Å; D269-D271 WeakPolarHBondContact OD1-CB 3.38Å; D269-D271 PolarHBondContact OD1-N 3.19Å; D271-R274 PolarHBondContact O-N 3.32Å; D271-R274 IonicContact OD1-CZ 3.7Å; D271-R274 IonicContact OD1-NE 3.42Å; D271-R274 PolarHBondContact OD1-NE 2.8Å; D271-R274 IonicContact OD1-NH2 3.78Å; D271-R274 PolarHBondContact OD1-NH2 3.37Å; D271-R274 IonicContact OD2-NH2 3.91Å; D271-K275 WeakPolarHBondContact O-CB 3.37Å; D271-K275 VanDerWaalsContact O-CG 3.29Å; D271-K275 WeakPolarHBondContact O-CG 3.29Å; D271-K275 PolarHBondContact O-N 3.01Å; D271-K275 WeakPolarHBondContact OD2-CE 3.3Å; D271-K275 IonicContact OD2-NZ 2.74Å; D271-K275 PolarHBondContact OD2-NZ 3.38Å
272	V	97.5	Very high	89.7	Confident	67 Å²	67	58 Å²	58	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-46.9	172.7	177.6	0	0	0	0	110.5	W265 V267 D269 F270 D276	W265-V272 HydrophobicContact CZ2-CG1 4.26Å; V267-V272 HydrophobicContact CG1-CB 4.29Å; V267-V272 HydrophobicContact CG1-CG1 3.92Å; D269-V272 HydrophobicContact CB-CG2 4.28Å; D269-V272 WeakPolarHBondContact O-CB 3.22Å; D269-V272 PolarHBondContact O-N 2.8Å; F270-V272 PolarHBondContact O-N 3.32Å; V272-D276 WeakPolarHBondContact O-CB 3.29Å; V272-D276 PolarHBondContact O-N 3.08Å
273	L	97.8	Very high	87.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-42	178.2	-58.8	-171.4	0	0	0	111.4	W59 L144 V231 I248 W265 V267 F270 D276 L277	W59-L273 HydrophobicContact CH2-CB 4.36Å; W59-L273 HydrophobicContact CH2-CD1 4.35Å; W59-L273 HydrophobicContact CZ2-CB 3.67Å; W59-L273 HydrophobicContact CZ2-CD1 4.42Å; W59-L273 PolarHBondContact NE1-O 3.41Å; W59-L273 VanDerWaalsContact NE1-O 3.12Å; L144-L273 HydrophobicContact CD1-CB 4.1Å; L144-L273 HydrophobicContact CD2-CB 4.07Å; L144-L273 HydrophobicContact CD2-CD1 4.07Å; V231-L273 HydrophobicContact CG1-CD1 4.33Å; I248-L273 HydrophobicContact CD1-CD2 4.14Å; I248-L273 HydrophobicContact CG2-CD1 4.26Å; I248-L273 HydrophobicContact CG2-CD2 3.95Å; W265-L273 HydrophobicContact CD2-CD2 4.37Å; W265-L273 HydrophobicContact CE3-CD2 4.19Å; W265-L273 HydrophobicContact CH2-CD2 3.34Å; W265-L273 HydrophobicContact CZ2-CD2 3.52Å; W265-L273 HydrophobicContact CZ3-CD2 3.7Å; V267-L273 HydrophobicContact CB-CD2 4.45Å; V267-L273 HydrophobicContact CG1-CD2 3.8Å; V267-L273 HydrophobicContact CG2-CD1 4.1Å; V267-L273 HydrophobicContact CG2-CD2 3.93Å; V267-L273 HydrophobicContact CG2-CG 3.93Å; F270-L273 HydrophobicContact CD1-CD1 4.08Å; F270-L273 HydrophobicContact CE1-CD1 4.46Å; F270-L273 PolarHBondContact O-N 3.46Å; F270-L273 VanDerWaalsContact O-N 3.12Å; L273-D276 PolarHBondContact O-N 3.37Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 2.8Å
274	R	97.6	Very high	85.3	Confident	65 Å²	65	62.2 Å²	62.2	25%	0.245	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-46.5	179.2	-172.2	-170.5	66	74.3	-2.1	111.5	L144 R147 F270 D271 D276 L277 D278	L144-R274 HydrophobicContact CB-CB 4.46Å; L144-R274 HydrophobicContact CD1-CB 4.17Å; R147-R274 HydrophobicContact CB-CG 4.2Å; R147-R274 HydrophobicContact CG-CG 4.44Å; F270-R274 PolarHBondContact O-N 2.9Å; D271-R274 PolarHBondContact O-N 3.32Å; D271-R274 IonicContact OD1-CZ 3.7Å; D271-R274 IonicContact OD1-NE 3.42Å; D271-R274 PolarHBondContact OD1-NE 2.8Å; D271-R274 IonicContact OD1-NH2 3.78Å; D271-R274 PolarHBondContact OD1-NH2 3.37Å; D271-R274 IonicContact OD2-NH2 3.91Å; R274-D276 VanDerWaalsContact C-N 3.34Å; R274-L277 WeakPolarHBondContact O-CB 3.47Å; R274-L277 PolarHBondContact O-N 2.87Å; R274-D278 IonicContact NH1-OD2 2.71Å
275	K	96.6	Very high	82.8	Confident	123 Å²	123	65.1 Å²	65.1	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-37.5	176.9	-76.8	167.9	169.2	155.7	0	112.2	D271 L277 D278	D271-K275 WeakPolarHBondContact O-CB 3.37Å; D271-K275 VanDerWaalsContact O-CG 3.29Å; D271-K275 WeakPolarHBondContact O-CG 3.29Å; D271-K275 PolarHBondContact O-N 3.01Å; D271-K275 WeakPolarHBondContact OD2-CE 3.3Å; D271-K275 IonicContact OD2-NZ 2.74Å; D271-K275 PolarHBondContact OD2-NZ 3.38Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 3.27Å; K275-D278 WeakPolarHBondContact O-CB 3.25Å; K275-D278 PolarHBondContact O-N 3.47Å; K275-D278 VanDerWaalsContact O-N 3.08Å
276	D	96.4	Very high	79.9	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-29.6	178.2	-166.2	82.5	0	0	0	112.7	R60 W265 V272 L273 R274 D278 H279	R60-D276 IonicContact CZ-OD1 2.9Å; R60-D276 IonicContact CZ-OD2 2.94Å; R60-D276 PolarHBondContact NE-O 3.36Å; R60-D276 IonicContact NE-OD1 3.9Å; R60-D276 IonicContact NE-OD2 2.77Å; R60-D276 PolarHBondContact NE-OD2 3.29Å; R60-D276 IonicContact NH2-OD1 2.74Å; R60-D276 PolarHBondContact NH2-OD1 2.98Å; R60-D276 IonicContact NH2-OD2 2.82Å; R60-D276 PolarHBondContact NH2-OD2 3.47Å; W265-D276 HydrophobicContact CH2-CB 3.92Å; W265-D276 HydrophobicContact CZ2-CB 4.33Å; V272-D276 WeakPolarHBondContact O-CB 3.29Å; V272-D276 PolarHBondContact O-N 3.08Å; L273-D276 PolarHBondContact O-N 3.37Å; R274-D276 VanDerWaalsContact C-N 3.34Å; D276-D278 PolarHBondContact O-N 2.84Å; D276-H279 WeakPolarHBondContact O-CB 3.5Å; D276-H279 PolarHBondContact O-N 2.85Å
277	L	95.5	Very high	76.9	Confident	2 Å²	2	83.2 Å²	83.2	1%	0.01	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.1	172.9	-67.2	173.5	0	0	0	114	W59 L144 R147 L148 R151 L273 R274 K275	W59-L277 HydrophobicContact CD2-CD2 4.24Å; W59-L277 HydrophobicContact CG-CD2 4.43Å; W59-L277 HydrophobicContact CZ2-CD1 3.76Å; W59-L277 HydrophobicContact CZ2-CD2 3.91Å; W59-L277 HydrophobicContact CZ2-CG 3.8Å; L144-L277 HydrophobicContact CD1-CD1 3.93Å; R147-L277 HydrophobicContact CB-CD1 4.49Å; R147-L277 HydrophobicContact CG-CB 4.37Å; R147-L277 HydrophobicContact CG-CD1 4.04Å; L148-L277 HydrophobicContact CD2-CD1 3.64Å; L148-L277 HydrophobicContact CD2-CD2 4.33Å; L148-L277 HydrophobicContact CG-CD1 4.02Å; R151-L277 PolarHBondContact NH1-O 2.89Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 2.8Å; R274-L277 WeakPolarHBondContact O-CB 3.47Å; R274-L277 PolarHBondContact O-N 2.87Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 3.27Å
278	D	88.7	Confident	75.8	Confident	68 Å²	68	87.1 Å²	87.1	36%	0.364	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.1	177.9	-62.9	-29.5	0	0	0	112.2	R147 R274 K275 D276 D280	R147-D278 IonicContact CZ-OD1 3.44Å; R147-D278 IonicContact NE-OD1 3.66Å; R147-D278 PolarHBondContact NE-OD1 3.05Å; R147-D278 IonicContact NH2-OD1 2.64Å; R147-D278 PolarHBondContact NH2-OD1 3.11Å; R274-D278 IonicContact NH1-OD2 2.71Å; K275-D278 WeakPolarHBondContact O-CB 3.25Å; K275-D278 PolarHBondContact O-N 3.47Å; K275-D278 VanDerWaalsContact O-N 3.08Å; D276-D278 PolarHBondContact O-N 2.84Å; D278-D280 PolarHBondContact O-N 3.07Å; D278-D280 VanDerWaalsContact O-N 3.13Å
279	H	80.9	Confident	74.7	Confident	120 Å²	120	87.2 Å²	87.2	56%	0.556	45%	0.448	S	S	*	.			trans	-77.3	99	174.9	-151.4	-58.9	0	0	0	108.7	D276	D276-H279 WeakPolarHBondContact O-CB 3.5Å; D276-H279 PolarHBondContact O-N 2.85Å
280	D	59.5	Low	73.4	Confident	114 Å²	114	88.1 Å²	88.1	61%	0.61	45%	0.452	S	S	*	.			trans	-62.8	136.1	174.9	-80.8	-30.5	0	0	0	110.2	D278 S282	D278-D280 PolarHBondContact O-N 3.07Å; D278-D280 VanDerWaalsContact O-N 3.13Å; D280-S282 PolarHBondContact O-N 2.89Å
281	E	54.9	Low	71.9	Confident	55 Å²	55	93.3 Å²	93.3	26%	0.257	48%	0.479	S	S	.	.			trans	-78.2	17.1	170	-76.7	-167.1	166.9	0	0	112	R57 K61 D283 I284	R57-E281 WeakPolarHBondContact CG-OE1 3.37Å; K61-E281 VanDerWaalsContact CE-CD 3.44Å; K61-E281 WeakPolarHBondContact CE-OE1 3.27Å; K61-E281 WeakPolarHBondContact CE-OE2 3.39Å; K61-E281 IonicContact NZ-OE1 3.69Å; K61-E281 IonicContact NZ-OE2 2.58Å; K61-E281 PolarHBondContact NZ-OE2 2.83Å; E281-D283 PolarHBondContact O-N 2.94Å; E281-I284 PolarHBondContact O-N 3Å
282	S	48.2	Very low	70.3	Confident	98 Å²	98	96.9 Å²	96.9	69%	0.685	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-1.5	-179.8	58.6	0	0	0	0	114.6	D280	D280-S282 PolarHBondContact O-N 2.89Å
283	D	46.8	Very low	68.5	Low	138 Å²	138	98.9 Å²	98.9	74%	0.738	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	12.3	-177	-63.6	-13.7	0	0	0	114.1	E281	E281-D283 PolarHBondContact O-N 2.94Å
284	I	50.6	Low	66.4	Low	94 Å²	94	105.9 Å²	105.9	48%	0.482	54%	0.539	S	S	.	.	S	Bend	trans	-123.7	4.5	-172.3	-54.6	178.9	0	0	0	115.2	E281	E281-I284 PolarHBondContact O-N 3Å
285	D	42.7	Very low	64	Low	160 Å²	160	109.1 Å²	109.1	86%	0.856	56%	0.561	S	S	*	*			trans	-102	26.7	176.5	-76.9	-19.9	0	0	0	114.5
286	D	36	Very low	61.3	Low	164 Å²	164	107.9 Å²	107.9	88%	0.877	56%	0.564	S	S	*	*			trans	-118.8	70.3	171.6	-79.7	-31.2	0	0	0	111.5
287	E	35.7	Very low	58.1	Low	265 Å²	265	116.2 Å²	116.2	100%	1.238	61%	0.607	S	S	*	*			trans	-173.1	0	151.3	-110.2	179.8	-173.9	0	0	111.3

Retrieved 287 of 287 residues in 147.6 ms (Link to these results)

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