A0A023ILS1_RAT Loading...

RT1 class II, locus Bb

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

AlphaFold DB (Q6AYB1), UniProt , Accession A0A023ILS1, Species RAT (Rattus norvegicus, Rat), Gene RT1-Bb, Length 263 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.1	Very low	41.3	Very low	243 Å²	243	149.2 Å²	149.2	100%	1.197	83%	0.828	S	S	*	*				0	107	0	-76.9	172.4	178.2	0	0	107.7
2	A	35.4	Very low	41.9	Very low	106 Å²	106	144.1 Å²	144.1	88%	0.876	82%	0.819	S	S	*	*			trans	-135.4	124.8	162.7	0	0	0	0	0	106.4
3	L	35.6	Very low	42.3	Very low	167 Å²	167	138.5 Å²	138.5	87%	0.874	80%	0.801	S	S	*	*			trans	-72.7	143.8	-165.2	-91	84.9	0	0	0	113.2
4	Q	35.1	Very low	42.7	Very low	170 Å²	170	136.9 Å²	136.9	79%	0.794	80%	0.795	S	S	*	*			trans	-37.2	152.1	141.7	-82.5	166.5	-48.1	0	0	112.5
5	T	38.9	Very low	42.9	Very low	123 Å²	123	135.3 Å²	135.3	76%	0.755	79%	0.787	S	S	*	*			cis	-173.3	-155.9	17.9	33.6	0	0	0	0	105.9
6	P	50.1	Low	43.2	Very low	107 Å²	107	132.9 Å²	132.9	70%	0.695	78%	0.775	S	S	*	*				-129.3	-161	-100.6	40.3	-17.7	0	0	0	112.9
7	S	39.3	Very low	43	Very low	89 Å²	89	133.4 Å²	133.4	62%	0.622	77%	0.772	S	S	*	*			trans	88.4	101.5	147.8	-74.5	0	0	0	0	120.2
8	F	48.2	Very low	43.1	Very low	191 Å²	191	134.2 Å²	134.2	84%	0.838	77%	0.77	S	S	*	*				39.7	100.8	116.7	-62.8	-74.7	0	0	0	117.4
9	L	49.4	Very low	43.3	Very low	171 Å²	171	132.9 Å²	132.9	90%	0.895	77%	0.765	S	S	*	*			trans	-159.3	98.7	139.8	-80.3	-172.9	0	0	0	109.3
10	L	39.9	Very low	43.5	Very low	177 Å²	177	134.1 Å²	134.1	93%	0.927	77%	0.767	S	S	*	*			trans	-149.1	145.5	150.1	-81.2	-177.4	0	0	0	109.6
11	P	45.2	Very low	43.7	Very low	97 Å²	97	131.7 Å²	131.7	63%	0.63	76%	0.759	S	S	*	*			trans	-101.3	164.1	-132.6	35.8	-30.7	0	0	0	114	A13	P11-A13 PolarHBondContact O-N 2.75Å
12	A	48.1	Very low	44.2	Very low	88 Å²	88	124.5 Å²	124.5	73%	0.727	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	12	178.8	0	0	0	0	0	117
13	A	48.2	Very low	45	Very low	71 Å²	71	124.8 Å²	124.8	59%	0.587	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-17.5	-174.6	0	0	0	0	0	114.4	P11	P11-A13 PolarHBondContact O-N 2.75Å
14	V	47.2	Very low	45.7	Very low	117 Å²	117	120.1 Å²	120.1	71%	0.709	72%	0.718	S	S	*	*	S	Bend	trans	-86.9	-19.1	-176.2	-173.4	0	0	0	0	112.8
15	V	45.3	Very low	46.6	Very low	113 Å²	113	117.9 Å²	117.9	69%	0.685	72%	0.716	S	S	*	*	S	Bend	trans	-83.9	-19.7	-177.3	-176.1	0	0	0	0	112.5
16	V	47.6	Very low	47.2	Very low	97 Å²	97	120.9 Å²	120.9	59%	0.588	72%	0.722	S	S	*	*	S	Bend	trans	-85.3	-19.4	-176.4	-173.2	0	0	0	0	112.9
17	L	41.1	Very low	47.6	Very low	140 Å²	140	119.1 Å²	119.1	73%	0.733	72%	0.722	S	S	*	*	S	Bend	trans	-85.9	-14.4	-179.4	-126.9	84.9	0	0	0	114.8	V19 S21	L17-V19 VanDerWaalsContact C-N 3.35Å; L17-S21 PolarHBondContact O-OG 3.09Å
18	M	43.8	Very low	48.5	Very low	148 Å²	148	125.8 Å²	125.8	73%	0.729	73%	0.734	S	S	*	*	S	Bend	trans	-83	-13.2	175.3	-70.3	-92.7	-156.9	0	0	112.6
19	V	47.4	Very low	49.6	Very low	111 Å²	111	123.7 Å²	123.7	67%	0.673	73%	0.731	S	S	*	*	S	Bend	trans	-86.8	-15.2	-178.3	-175.6	0	0	0	0	112.1	L17	L17-V19 VanDerWaalsContact C-N 3.35Å
20	L	47	Very low	50.8	Low	155 Å²	155	120 Å²	120	81%	0.812	72%	0.72	S	S	*	*	S	Bend	trans	-106.8	6.9	-178.3	-69.7	171.3	0	0	0	114.5
21	S	48.8	Very low	52.9	Low	85 Å²	85	117.6 Å²	117.6	59%	0.594	72%	0.715	S	S	*	*			trans	-125.8	20.6	-179.6	50.5	0	0	0	0	113.6	L17 P23	L17-S21 PolarHBondContact O-OG 3.09Å; S21-P23 VanDerWaalsContact O-CD 3.26Å; S21-P23 WeakPolarHBondContact O-CD 3.05Å
22	S	47.2	Very low	55.1	Low	92 Å²	92	122.8 Å²	122.8	64%	0.643	72%	0.722	S	S	*	*	S	Bend	trans	-79.8	109.9	148.2	-60.7	0	0	0	0	105.6	G24	S22-G24 PolarHBondContact O-N 2.88Å
23	P	51.6	Low	57.3	Low	111 Å²	111	124.7 Å²	124.7	72%	0.721	72%	0.72	S	S	*	*			trans	-58.8	105.2	155.9	8.2	5.1	0	0	0	103.1	S21 T25	S21-P23 VanDerWaalsContact O-CD 3.26Å; S21-P23 WeakPolarHBondContact O-CD 3.05Å; P23-T25 PolarHBondContact O-N 3.21Å
24	G	49.6	Very low	59.5	Low	70 Å²	70	127.2 Å²	127.2	72%	0.722	72%	0.718	S	S	*	*			trans	-52.8	100.8	154.3	0	0	0	0	0	103.4	S22 E26	S22-G24 PolarHBondContact O-N 2.88Å; G24-E26 PolarHBondContact O-N 3.43Å
25	T	54.3	Low	61.9	Low	123 Å²	123	124.4 Å²	124.4	76%	0.755	70%	0.701	S	S	*	*			trans	-64.2	86.1	161.2	51	0	0	0	0	102.8	P23 G27	P23-T25 PolarHBondContact O-N 3.21Å; T25-G27 WeakPolarHBondContact O-CA 3.31Å; T25-G27 PolarHBondContact O-N 2.95Å
26	E	51.9	Low	64.4	Low	186 Å²	186	124.3 Å²	124.3	87%	0.869	69%	0.692	S	S	*	*			trans	-41.2	103.5	151.5	-166.2	168	-172.9	0	0	103.8	G24 R28	G24-E26 PolarHBondContact O-N 3.43Å; E26-R28 PolarHBondContact O-N 3.39Å
27	G	58.9	Low	66.8	Low	69 Å²	69	123 Å²	123	71%	0.711	68%	0.679	S	S	*	*			trans	-62.8	91.9	-163.3	0	0	0	0	0	107.3	T25 D29	T25-G27 WeakPolarHBondContact O-CA 3.31Å; T25-G27 PolarHBondContact O-N 2.95Å; G27-D29 PolarHBondContact O-N 3.41Å
28	R	58.8	Low	69.6	Low	229 Å²	229	121.8 Å²	121.8	86%	0.864	67%	0.668	S	S	*	*			trans	-55.6	111.6	175.3	-165.4	175.8	-168.8	165.6	3.2	104.6	E26 S30	E26-R28 PolarHBondContact O-N 3.39Å; R28-S30 VanDerWaalsContact C-N 3.3Å; R28-S30 PolarHBondContact O-N 2.95Å; R28-S30 PolarHBondContact O-OG 3.47Å
29	D	70.8	Confident	72.2	Confident	147 Å²	147	119.3 Å²	119.3	79%	0.786	65%	0.653	S	S	*	*			trans	-47.9	97	-172.3	-151.8	6.9	0	0	0	107.9	G27	G27-D29 PolarHBondContact O-N 3.41Å
30	S	74.1	Confident	74.6	Confident	94 Å²	94	116.4 Å²	116.4	66%	0.657	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-72	126.5	-172.9	-69.6	0	0	0	0	105.5	R28 R32	R28-S30 VanDerWaalsContact C-N 3.3Å; R28-S30 PolarHBondContact O-N 2.95Å; R28-S30 PolarHBondContact O-OG 3.47Å; S30-R32 PolarHBondContact O-N 3.21Å; S30-R32 VanDerWaalsContact O-N 3.09Å
31	P	84.8	Confident	77	Confident	126 Å²	126	111.4 Å²	111.4	82%	0.818	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.3	125	-174.6	9.9	-17	0	0	0	109.1	D33	P31-D33 PolarHBondContact O-N 2.98Å
32	R	90.6	Very high	79.4	Confident	206 Å²	206	109.2 Å²	109.2	78%	0.777	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-73.6	116.5	174.2	-61.7	-176	-173.7	179.2	1.7	107.6	S30 F34	S30-R32 PolarHBondContact O-N 3.21Å; S30-R32 VanDerWaalsContact O-N 3.09Å; R32-F34 HydrophobicContact CB-CD2 4.35Å; R32-F34 HydrophobicContact CB-CE2 3.51Å; R32-F34 HydrophobicContact CB-CZ 3.88Å
33	D	93.4	Very high	81.9	Confident	129 Å²	129	109.8 Å²	109.8	69%	0.69	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-98.8	131	178.3	-170.9	20.2	0	0	0	110.3	P31	P31-D33 PolarHBondContact O-N 2.98Å
34	F	95.7	Very high	84.1	Confident	124 Å²	124	108.1 Å²	108.1	54%	0.544	57%	0.572	S	S	.	*			trans	-135.1	123.6	179.4	-57.6	-78.2	0	0	0	108.6	R32 Y59 N60	R32-F34 HydrophobicContact CB-CD2 4.35Å; R32-F34 HydrophobicContact CB-CE2 3.51Å; R32-F34 HydrophobicContact CB-CZ 3.88Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.33Å; F34-N60 WeakPolarHBondContact CA-OD1 3.33Å
35	V	97.6	Very high	86.4	Confident	57 Å²	57	108.7 Å²	108.7	35%	0.345	56%	0.562	S	S	.	*			trans	-120.9	132.6	-173.6	-176.8	0	0	0	0	109.8	Q37 N60	V35-Q37 HydrophobicContact CG1-CG 3.8Å; V35-N60 PolarHBondContact N-OD1 2.96Å; V35-N60 WeakPolarHBondContact O-CA 3.5Å; V35-N60 PolarHBondContact O-N 2.96Å
36	F	97.6	Very high	88.4	Confident	112 Å²	112	108.3 Å²	108.3	49%	0.491	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.2	132.7	167.4	-169.5	-92.2	0	0	0	109.5	Y57 Y59 Y64	F36-Y57 HydrophobicContact CE1-CD1 4.17Å; F36-Y57 AromaticContact CZ-CD1 3.8Å; F36-Y57 HydrophobicContact CZ-CD1 3.8Å; F36-Y59 HydrophobicContact CD2-CD2 4.35Å; F36-Y64 AromaticContact CE2-CE1 3.7Å; F36-Y64 HydrophobicContact CE2-CE1 3.7Å; F36-Y64 AromaticContact CE2-CZ 3.83Å; F36-Y64 WeakPolarHBondContact CE2-OH 3.49Å; F36-Y64 HydrophobicContact CZ-CE1 4.29Å; F36-Y64 VanDerWaalsContact CZ-OH 3.32Å; F36-Y64 WeakPolarHBondContact CZ-OH 3.49Å
37	Q	98.5	Very high	90.5	Very high	69 Å²	69	100.7 Å²	100.7	32%	0.322	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.6	178.2	-49.5	171.2	59.8	0	0	110.4	V35 I58 N60	V35-Q37 HydrophobicContact CG1-CG 3.8Å; Q37-I58 HydrophobicContact CB-CB 4.17Å; Q37-I58 PolarHBondContact N-O 3.29Å; Q37-I58 PolarHBondContact O-N 3.02Å; Q37-N60 PolarHBondContact NE2-O 3.48Å
38	F	98.3	Very high	92.3	Very high	115 Å²	115	98.7 Å²	98.7	50%	0.504	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.7	169.1	170.7	-93.8	0	0	0	108.6	I55 Y57	F38-I55 HydrophobicContact CD2-CG2 4.02Å; F38-I55 HydrophobicContact CE2-CG2 3.24Å; F38-I55 HydrophobicContact CZ-CG2 3.78Å; F38-Y57 HydrophobicContact CD2-CD1 4.02Å; F38-Y57 AromaticContact CD2-CE1 3.56Å; F38-Y57 HydrophobicContact CD2-CE1 3.56Å; F38-Y57 AromaticContact CD2-CZ 3.89Å; F38-Y57 HydrophobicContact CE2-CE1 4.01Å; F38-Y57 AromaticContact CE2-CZ 3.86Å
39	K	98.6	Very high	94	Very high	96 Å²	96	95 Å²	95	42%	0.417	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.3	174.4	-58.4	-172.2	177.5	-174.6	0	110.2	L41 I55 R56 I58	K39-L41 HydrophobicContact CB-CD1 3.93Å; K39-I55 CarbonylContact O-C 3.51Å; K39-I55 WeakPolarHBondContact O-CA 3.48Å; K39-R56 HydrophobicContact CB-CB 4.26Å; K39-R56 PolarHBondContact N-O 3.37Å; K39-R56 PolarHBondContact O-N 3.49Å; K39-I58 HydrophobicContact CD-CD1 3.96Å; K39-I58 HydrophobicContact CG-CD1 4.27Å
40	G	98.1	Very high	95.3	Very high	49 Å²	49	95.3 Å²	95.3	51%	0.505	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.1	166.4	0	0	0	0	0	109.8
41	L	98.6	Very high	96.5	Very high	50 Å²	50	91.5 Å²	91.5	26%	0.262	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.6	-177	-56	110.2	0	0	0	109.7	K39 Y43 L53 V54 R56	K39-L41 HydrophobicContact CB-CD1 3.93Å; L41-Y43 HydrophobicContact CB-CD2 4.5Å; L41-Y43 HydrophobicContact CB-CE2 3.82Å; L41-L53 WeakPolarHBondContact O-CA 3.17Å; L41-V54 HydrophobicContact CB-CB 4.44Å; L41-V54 HydrophobicContact CD1-CB 4.4Å; L41-V54 HydrophobicContact CD1-CG1 4.37Å; L41-V54 WeakPolarHBondContact CD1-O 3.13Å; L41-V54 PolarHBondContact N-O 3.3Å; L41-V54 PolarHBondContact O-N 2.95Å; L41-R56 HydrophobicContact CD1-CG 3.94Å
42	C	98.6	Very high	97.1	Very high	40 Å²	40	90 Å²	90	27%	0.27	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.7	171.8	-58.9	0	0	0	0	108.6	Y44 C104	C42-Y44 HydrophobicContact CB-CE1 4.23Å; C42-Y44 HydrophobicContact CB-CE2 3.69Å; C42-Y44 VanDerWaalsContact CB-CZ 3.45Å; C42-Y44 WeakPolarHBondContact CB-OH 3.48Å; C42-Y44 WeakPolarHBondContact O-CE2 3.28Å; C42-C104 HydrophobicContact CB-CB 3.56Å; C42-C104 WeakPolarHBondContact CB-SG 3.45Å; C42-C104 WeakPolarHBondContact SG-CA 3.05Å; C42-C104 WeakPolarHBondContact SG-CB 3.44Å; C42-C104 CovalentContact SG-SG 2.03Å; C42-C104 PolarHBondContact SG-SG 2.83Å
43	Y	98.5	Very high	97.5	Very high	104 Å²	104	80.5 Å²	80.5	41%	0.408	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.8	176.5	-59.2	-82.4	0	0	0	109.5	L41 I51 R52 V54	L41-Y43 HydrophobicContact CB-CD2 4.5Å; L41-Y43 HydrophobicContact CB-CE2 3.82Å; Y43-I51 WeakPolarHBondContact O-CA 3.36Å; Y43-R52 HydrophobicContact CD2-CB 4.43Å; Y43-R52 HydrophobicContact CD2-CG 4.5Å; Y43-R52 WeakPolarHBondContact CD2-O 3.33Å; Y43-R52 PolarHBondContact N-O 3.4Å; Y43-R52 PolarHBondContact O-N 3.04Å; Y43-V54 HydrophobicContact CD2-CG2 4.23Å; Y43-V54 HydrophobicContact CE2-CB 4.09Å; Y43-V54 HydrophobicContact CE2-CG2 3.79Å
44	Y	98.3	Very high	97.8	Very high	75 Å²	75	74.5 Å²	74.5	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.6	-179.2	-54.6	-78.9	0	0	0	110.2	C42 I51 C104 Y108	C42-Y44 HydrophobicContact CB-CE1 4.23Å; C42-Y44 HydrophobicContact CB-CE2 3.69Å; C42-Y44 VanDerWaalsContact CB-CZ 3.45Å; C42-Y44 WeakPolarHBondContact CB-OH 3.48Å; C42-Y44 WeakPolarHBondContact O-CE2 3.28Å; Y44-I51 HydrophobicContact CD1-CD1 4.32Å; Y44-I51 HydrophobicContact CD1-CG1 4.05Å; Y44-I51 HydrophobicContact CD1-CG2 4.35Å; Y44-I51 HydrophobicContact CE1-CD1 4.21Å; Y44-I51 HydrophobicContact CE1-CG1 4.34Å; Y44-I51 HydrophobicContact CE1-CG2 4.18Å; Y44-C104 HydrophobicContact CE1-CB 4.1Å; Y44-C104 WeakPolarHBondContact OH-CA 3.14Å; Y44-C104 PolarHBondContact OH-O 2.97Å; Y44-Y108 AromaticContact CD1-CD2 3.46Å; Y44-Y108 HydrophobicContact CD1-CD2 3.46Å; Y44-Y108 VanDerWaalsContact CD1-CD2 3.46Å; Y44-Y108 HydrophobicContact CD1-CE2 4.11Å; Y44-Y108 HydrophobicContact CD1-CG 4.02Å; Y44-Y108 AromaticContact CD2-CD2 3.73Å; Y44-Y108 HydrophobicContact CD2-CD2 3.73Å; Y44-Y108 HydrophobicContact CD2-CE2 4.17Å; Y44-Y108 AromaticContact CE1-CD2 3.68Å; Y44-Y108 HydrophobicContact CE1-CD2 3.68Å; Y44-Y108 AromaticContact CE1-CG 3.97Å; Y44-Y108 HydrophobicContact CE1-CG 3.97Å; Y44-Y108 AromaticContact CE2-CD2 3.92Å; Y44-Y108 HydrophobicContact CE2-CD2 3.92Å; Y44-Y108 AromaticContact CG-CD2 3.49Å; Y44-Y108 HydrophobicContact CG-CD2 3.49Å; Y44-Y108 VanDerWaalsContact CG-CD2 3.49Å; Y44-Y108 AromaticContact CG-CE2 3.82Å; Y44-Y108 HydrophobicContact CG-CE2 3.82Å; Y44-Y108 HydrophobicContact CG-CG 4.47Å; Y44-Y108 AromaticContact CZ-CD2 3.9Å
45	T	97.9	Very high	97.9	Very high	83 Å²	83	68.8 Å²	68.8	51%	0.509	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.6	172.7	-56.8	0	0	0	0	109	R50	T45-R50 PolarHBondContact N-O 3.24Å; T45-R50 PolarHBondContact O-N 3.34Å
46	N	96.5	Very high	98	Very high	115 Å²	115	69.2 Å²	69.2	62%	0.615	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	58.8	-174.7	-160	15.9	0	0	0	112.3	Q49	N46-Q49 HydrophobicContact CB-CB 4.47Å; N46-Q49 VanDerWaalsContact ND2-CD 3.26Å; N46-Q49 PolarHBondContact ND2-NE2 3.38Å; N46-Q49 PolarHBondContact ND2-OE1 2.9Å; N46-Q49 WeakPolarHBondContact O-CB 3.33Å; N46-Q49 VanDerWaalsContact O-CG 3.29Å; N46-Q49 WeakPolarHBondContact O-CG 3.44Å; N46-Q49 PolarHBondContact O-N 3.5Å
47	G	95.3	Very high	98	Very high	25 Å²	25	65.6 Å²	65.6	26%	0.258	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-132.1	-172.1	0	0	0	0	0	112	Y108	G47-Y108 WeakPolarHBondContact CA-OH 3.47Å
48	T	97.1	Very high	98	Very high	27 Å²	27	63.1 Å²	63.1	17%	0.166	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.3	179	61.2	0	0	0	0	113.6	I51 R105 Y108 E109	T48-I51 HydrophobicContact CG2-CD1 4.21Å; T48-R105 VanDerWaalsContact CB-NH1 3.32Å; T48-R105 HydrophobicContact CG2-CG 4.22Å; T48-R105 PolarHBondContact O-NH1 3.13Å; T48-R105 PolarHBondContact OG1-NH1 3.4Å; T48-Y108 HydrophobicContact CG2-CD1 3.31Å; T48-Y108 HydrophobicContact CG2-CE1 3.94Å; T48-Y108 HydrophobicContact CG2-CG 3.66Å; T48-E109 WeakPolarHBondContact CB-OE1 3.31Å; T48-E109 HydrophobicContact CG2-CG 3.88Å; T48-E109 WeakPolarHBondContact CG2-OE1 3.39Å; T48-E109 PolarHBondContact OG1-OE1 2.93Å
49	Q	95.9	Very high	98	Very high	152 Å²	152	61.8 Å²	61.8	71%	0.71	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-45.2	177.8	-69.9	-177.5	15	0	0	112.1	N46	N46-Q49 HydrophobicContact CB-CB 4.47Å; N46-Q49 VanDerWaalsContact ND2-CD 3.26Å; N46-Q49 PolarHBondContact ND2-NE2 3.38Å; N46-Q49 PolarHBondContact ND2-OE1 2.9Å; N46-Q49 WeakPolarHBondContact O-CB 3.33Å; N46-Q49 VanDerWaalsContact O-CG 3.29Å; N46-Q49 WeakPolarHBondContact O-CG 3.44Å; N46-Q49 PolarHBondContact O-N 3.5Å
50	R	97.6	Very high	97.9	Very high	153 Å²	153	60 Å²	60	58%	0.577	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.8	171.4	-179.6	178.2	-177.6	176.2	0.7	109.3	T45 D70	T45-R50 PolarHBondContact N-O 3.24Å; T45-R50 PolarHBondContact O-N 3.34Å; R50-D70 IonicContact NH2-OD2 3.91Å
51	I	98.5	Very high	97.9	Very high	15 Å²	15	69.3 Å²	69.3	8%	0.077	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.2	175.8	-53.2	179.7	0	0	0	107.7	Y43 Y44 T48 L100 C104 R105	Y43-I51 WeakPolarHBondContact O-CA 3.36Å; Y44-I51 HydrophobicContact CD1-CD1 4.32Å; Y44-I51 HydrophobicContact CD1-CG1 4.05Å; Y44-I51 HydrophobicContact CD1-CG2 4.35Å; Y44-I51 HydrophobicContact CE1-CD1 4.21Å; Y44-I51 HydrophobicContact CE1-CG1 4.34Å; Y44-I51 HydrophobicContact CE1-CG2 4.18Å; T48-I51 HydrophobicContact CG2-CD1 4.21Å; I51-L100 HydrophobicContact CB-CD2 4.21Å; I51-L100 HydrophobicContact CB-CG 4.38Å; I51-L100 HydrophobicContact CG2-CD2 4.44Å; I51-L100 HydrophobicContact CG2-CG 4.17Å; I51-C104 HydrophobicContact CG2-CB 3.69Å; I51-R105 HydrophobicContact CD1-CB 3.72Å; I51-R105 HydrophobicContact CD1-CG 4.22Å
52	R	98.6	Very high	97.8	Very high	94 Å²	94	71.5 Å²	71.5	36%	0.355	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.2	167.5	-179	-175.7	176.9	-175.9	2.3	109.5	Y43 V54 D68 S69 D70	Y43-R52 HydrophobicContact CD2-CB 4.43Å; Y43-R52 HydrophobicContact CD2-CG 4.5Å; Y43-R52 WeakPolarHBondContact CD2-O 3.33Å; Y43-R52 PolarHBondContact N-O 3.4Å; Y43-R52 PolarHBondContact O-N 3.04Å; R52-V54 HydrophobicContact CG-CG2 4.15Å; R52-D68 IonicContact CZ-OD1 3.64Å; R52-D68 IonicContact CZ-OD2 3.4Å; R52-D68 IonicContact NE-OD1 2.67Å; R52-D68 PolarHBondContact NE-OD1 3.34Å; R52-D68 IonicContact NE-OD2 4Å; R52-D68 PolarHBondContact NE-OD2 3.24Å; R52-D68 IonicContact NH2-OD1 3.94Å; R52-D68 IonicContact NH2-OD2 3.12Å; R52-D68 PolarHBondContact NH2-OD2 3.47Å; R52-S69 WeakPolarHBondContact CA-OG 3.26Å; R52-D70 WeakPolarHBondContact CD-OD2 3.42Å; R52-D70 IonicContact CZ-OD2 2.63Å; R52-D70 IonicContact NE-OD2 2.91Å
53	L	98.8	Very high	97.8	Very high	7 Å²	7	71.2 Å²	71.2	4%	0.037	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.9	173.7	171.1	60.7	0	0	0	109.2	L41 I55 F67 S69 E99 L100	L41-L53 WeakPolarHBondContact O-CA 3.17Å; L53-I55 HydrophobicContact CD1-CG1 3.98Å; L53-I55 HydrophobicContact CD2-CD1 4.5Å; L53-I55 HydrophobicContact CG-CG1 4.27Å; L53-F67 HydrophobicContact CD2-CE1 4.17Å; L53-F67 HydrophobicContact CG-CD1 4.46Å; L53-F67 HydrophobicContact CG-CE1 4.32Å; L53-S69 PolarHBondContact N-OG 2.8Å; L53-S69 PolarHBondContact O-N 3.17Å; L53-S69 PolarHBondContact O-OG 3.15Å; L53-E99 HydrophobicContact CD2-CB 3.83Å; L53-L100 HydrophobicContact CB-CB 4.43Å; L53-L100 HydrophobicContact CD2-CB 4.46Å
54	V	98.8	Very high	97.8	Very high	2 Å²	2	67 Å²	67	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124	171.7	179.3	0	0	0	0	109.2	L41 Y43 R52 R56 R66 F67	L41-V54 HydrophobicContact CB-CB 4.44Å; L41-V54 HydrophobicContact CD1-CB 4.4Å; L41-V54 HydrophobicContact CD1-CG1 4.37Å; L41-V54 WeakPolarHBondContact CD1-O 3.13Å; L41-V54 PolarHBondContact N-O 3.3Å; L41-V54 PolarHBondContact O-N 2.95Å; Y43-V54 HydrophobicContact CD2-CG2 4.23Å; Y43-V54 HydrophobicContact CE2-CB 4.09Å; Y43-V54 HydrophobicContact CE2-CG2 3.79Å; R52-V54 HydrophobicContact CG-CG2 4.15Å; V54-R56 HydrophobicContact CG1-CG 3.85Å; V54-R66 HydrophobicContact CG1-CG 3.94Å; V54-F67 CarbonylContact C-O 3.46Å; V54-F67 WeakPolarHBondContact CA-O 3.45Å
55	I	98.7	Very high	97.8	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.9	173.3	-58.2	-176.6	0	0	0	108.5	F38 K39 L53 Y57 R66 F67 T96 E99	F38-I55 HydrophobicContact CD2-CG2 4.02Å; F38-I55 HydrophobicContact CE2-CG2 3.24Å; F38-I55 HydrophobicContact CZ-CG2 3.78Å; K39-I55 CarbonylContact O-C 3.51Å; K39-I55 WeakPolarHBondContact O-CA 3.48Å; L53-I55 HydrophobicContact CD1-CG1 3.98Å; L53-I55 HydrophobicContact CD2-CD1 4.5Å; L53-I55 HydrophobicContact CG-CG1 4.27Å; I55-Y57 HydrophobicContact CG2-CD2 4.36Å; I55-Y57 HydrophobicContact CG2-CE2 3.72Å; I55-R66 CarbonylContact O-C 3.56Å; I55-R66 VanDerWaalsContact O-CA 3.23Å; I55-R66 WeakPolarHBondContact O-CA 3.29Å; I55-R66 WeakPolarHBondContact O-CG 3.49Å; I55-F67 HydrophobicContact CB-CB 4.21Å; I55-F67 PolarHBondContact N-O 2.96Å; I55-F67 PolarHBondContact O-N 2.98Å; I55-T96 HydrophobicContact CD1-CG2 3.58Å; I55-E99 WeakPolarHBondContact CD1-OE2 3.42Å
56	R	98.7	Very high	97.9	Very high	67 Å²	67	62.4 Å²	62.4	25%	0.253	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129	-177.8	-50	-174.1	175.5	-138.6	6.9	110.7	K39 L41 V54 I58 E63	K39-R56 HydrophobicContact CB-CB 4.26Å; K39-R56 PolarHBondContact N-O 3.37Å; K39-R56 PolarHBondContact O-N 3.49Å; L41-R56 HydrophobicContact CD1-CG 3.94Å; V54-R56 HydrophobicContact CG1-CG 3.85Å; R56-I58 HydrophobicContact CB-CD1 4.37Å; R56-I58 HydrophobicContact CB-CG1 4.39Å; R56-E63 HydrophobicContact CB-CG 4.11Å; R56-E63 WeakPolarHBondContact CB-OE1 3.5Å; R56-E63 WeakPolarHBondContact CD-OE1 3.31Å; R56-E63 WeakPolarHBondContact CG-OE1 3.46Å; R56-E63 IonicContact CZ-OE2 2.68Å; R56-E63 IonicContact NE-OE1 3.58Å; R56-E63 IonicContact NE-OE2 3.74Å; R56-E63 IonicContact NH1-OE1 3.93Å; R56-E63 IonicContact NH1-OE2 3.91Å; R56-E63 PolarHBondContact NH1-OE2 3.47Å
57	Y	98.6	Very high	98	Very high	36 Å²	36	57 Å²	57	14%	0.141	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.1	168.7	-62.9	-89.5	0	0	0	109.2	F36 F38 I55 E63 Y64 V65 F74 Y88	F36-Y57 HydrophobicContact CE1-CD1 4.17Å; F36-Y57 AromaticContact CZ-CD1 3.8Å; F36-Y57 HydrophobicContact CZ-CD1 3.8Å; F38-Y57 HydrophobicContact CD2-CD1 4.02Å; F38-Y57 AromaticContact CD2-CE1 3.56Å; F38-Y57 HydrophobicContact CD2-CE1 3.56Å; F38-Y57 AromaticContact CD2-CZ 3.89Å; F38-Y57 HydrophobicContact CE2-CE1 4.01Å; F38-Y57 AromaticContact CE2-CZ 3.86Å; I55-Y57 HydrophobicContact CG2-CD2 4.36Å; I55-Y57 HydrophobicContact CG2-CE2 3.72Å; Y57-E63 WeakPolarHBondContact O-CA 3.37Å; Y57-Y64 VanDerWaalsContact C-CE1 3.5Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.36Å; Y57-Y64 PolarHBondContact O-N 3.28Å; Y57-V65 HydrophobicContact CD2-CB 4.39Å; Y57-V65 HydrophobicContact CD2-CG1 4.3Å; Y57-V65 PolarHBondContact N-O 3.07Å; Y57-F74 HydrophobicContact CE2-CD1 4.46Å; Y57-F74 AromaticContact CE2-CE1 3.91Å; Y57-F74 HydrophobicContact CE2-CE1 3.91Å; Y57-Y88 HydrophobicContact CD2-CE2 4.04Å; Y57-Y88 HydrophobicContact CE1-CE2 4.28Å; Y57-Y88 HydrophobicContact CE2-CD2 4.2Å; Y57-Y88 AromaticContact CE2-CE2 3.8Å; Y57-Y88 HydrophobicContact CE2-CE2 3.8Å; Y57-Y88 HydrophobicContact CG-CE2 4.39Å; Y57-Y88 AromaticContact CZ-CE2 3.92Å
58	I	98.7	Very high	98.2	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.087	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.4	-170.9	-56.7	161.8	0	0	0	108.7	Q37 K39 R56 E62 E63	Q37-I58 HydrophobicContact CB-CB 4.17Å; Q37-I58 PolarHBondContact N-O 3.29Å; Q37-I58 PolarHBondContact O-N 3.02Å; K39-I58 HydrophobicContact CD-CD1 3.96Å; K39-I58 HydrophobicContact CG-CD1 4.27Å; R56-I58 HydrophobicContact CB-CD1 4.37Å; R56-I58 HydrophobicContact CB-CG1 4.39Å; I58-E62 WeakPolarHBondContact CA-O 3.39Å; I58-E63 HydrophobicContact CG1-CB 3.97Å; I58-E63 HydrophobicContact CG1-CG 3.91Å
59	Y	98	Very high	98.2	Very high	87 Å²	87	56.5 Å²	56.5	34%	0.341	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.4	170.9	-175	-109.4	0	0	0	109	F34 F36 R61 E62 L80	F34-Y59 WeakPolarHBondContact CD1-OH 3.33Å; F36-Y59 HydrophobicContact CD2-CD2 4.35Å; Y59-R61 PolarHBondContact O-N 3.44Å; Y59-E62 PolarHBondContact N-O 3.08Å; Y59-E62 PolarHBondContact O-N 3.28Å; Y59-L80 HydrophobicContact CD1-CD2 4.26Å; Y59-L80 HydrophobicContact CG-CD2 4.49Å
60	N	96.8	Very high	98.4	Very high	58 Å²	58	53.4 Å²	53.4	31%	0.31	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	-95.1	-165.3	-61.9	-36.1	0	0	0	111.5	F34 V35 Q37	F34-N60 WeakPolarHBondContact CA-OD1 3.33Å; V35-N60 PolarHBondContact N-OD1 2.96Å; V35-N60 WeakPolarHBondContact O-CA 3.5Å; V35-N60 PolarHBondContact O-N 2.96Å; Q37-N60 PolarHBondContact NE2-O 3.48Å
61	R	96.8	Very high	98.4	Very high	245 Å²	245	50.1 Å²	50.1	93%	0.925	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.1	6.7	178.9	-58.9	179	70.7	-179.5	2.3	112.6	Y59	Y59-R61 PolarHBondContact O-N 3.44Å
62	E	98.1	Very high	98.4	Very high	95 Å²	95	50 Å²	50	44%	0.444	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.1	-177.9	-170.5	-179	153.2	0	0	109.8	I58 Y59 Y64 T78	I58-E62 WeakPolarHBondContact CA-O 3.39Å; Y59-E62 PolarHBondContact N-O 3.08Å; Y59-E62 PolarHBondContact O-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.32Å; E62-T78 HydrophobicContact CG-CG2 3.89Å; E62-T78 WeakPolarHBondContact OE1-CB 3.46Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.47Å; E62-T78 PolarHBondContact OE1-OG1 2.99Å
63	E	98.5	Very high	98.4	Very high	34 Å²	34	48.3 Å²	48.3	16%	0.159	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	111.9	171.7	-167.1	-173.8	162.8	0	0	108.8	R56 Y57 I58 R66 L77	R56-E63 HydrophobicContact CB-CG 4.11Å; R56-E63 WeakPolarHBondContact CB-OE1 3.5Å; R56-E63 WeakPolarHBondContact CD-OE1 3.31Å; R56-E63 WeakPolarHBondContact CG-OE1 3.46Å; R56-E63 IonicContact CZ-OE2 2.68Å; R56-E63 IonicContact NE-OE1 3.58Å; R56-E63 IonicContact NE-OE2 3.74Å; R56-E63 IonicContact NH1-OE1 3.93Å; R56-E63 IonicContact NH1-OE2 3.91Å; R56-E63 PolarHBondContact NH1-OE2 3.47Å; Y57-E63 WeakPolarHBondContact O-CA 3.37Å; I58-E63 HydrophobicContact CG1-CB 3.97Å; I58-E63 HydrophobicContact CG1-CG 3.91Å; E63-R66 IonicContact OE1-CZ 3.32Å; E63-R66 VanDerWaalsContact OE1-CZ 3.24Å; E63-R66 IonicContact OE1-NE 2.7Å; E63-R66 PolarHBondContact OE1-NE 3.16Å; E63-R66 IonicContact OE1-NH2 3.17Å; E63-R66 PolarHBondContact OE1-NH2 2.69Å; E63-R66 IonicContact OE2-CZ 2.65Å; E63-R66 IonicContact OE2-NE 3.37Å; E63-R66 IonicContact OE2-NH2 3.57Å; E63-R66 PolarHBondContact OE2-NH2 3.24Å; E63-L77 HydrophobicContact CB-CD1 4.13Å; E63-L77 VanDerWaalsContact CD-CD1 3.47Å; E63-L77 HydrophobicContact CG-CD1 3.69Å; E63-L77 WeakPolarHBondContact O-CB 3.16Å; E63-L77 WeakPolarHBondContact OE1-CD1 3.33Å
64	Y	98.4	Very high	98.4	Very high	15 Å²	15	48.1 Å²	48.1	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-29.2	-168.5	71	-84	0	0	0	112.5	F36 Y57 E62 A76 L77 L80 G81	F36-Y64 AromaticContact CE2-CE1 3.7Å; F36-Y64 HydrophobicContact CE2-CE1 3.7Å; F36-Y64 AromaticContact CE2-CZ 3.83Å; F36-Y64 WeakPolarHBondContact CE2-OH 3.49Å; F36-Y64 HydrophobicContact CZ-CE1 4.29Å; F36-Y64 VanDerWaalsContact CZ-OH 3.32Å; F36-Y64 WeakPolarHBondContact CZ-OH 3.49Å; Y57-Y64 VanDerWaalsContact C-CE1 3.5Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.36Å; Y57-Y64 PolarHBondContact O-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.32Å; Y64-A76 WeakPolarHBondContact O-CA 3.49Å; Y64-L77 PolarHBondContact O-N 3.34Å; Y64-L80 HydrophobicContact CD1-CD2 4.49Å; Y64-L80 HydrophobicContact CD2-CD2 4.46Å; Y64-L80 HydrophobicContact CD2-CG 4.24Å; Y64-L80 HydrophobicContact CG-CD2 4.08Å; Y64-L80 HydrophobicContact CG-CG 4.3Å; Y64-G81 WeakPolarHBondContact O-CA 3.46Å
65	V	98.7	Very high	98.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.4	172.8	174	0	0	0	0	110.9	Y57 F74 R75 G81 A85 Y88	Y57-V65 HydrophobicContact CD2-CB 4.39Å; Y57-V65 HydrophobicContact CD2-CG1 4.3Å; Y57-V65 PolarHBondContact N-O 3.07Å; V65-F74 HydrophobicContact CG1-CB 4.22Å; V65-F74 HydrophobicContact CG1-CD1 3.97Å; V65-R75 WeakPolarHBondContact CA-O 3.24Å; V65-G81 VanDerWaalsContact CG2-CA 3.43Å; V65-G81 VanDerWaalsContact CG2-O 3.26Å; V65-G81 WeakPolarHBondContact CG2-O 3.46Å; V65-A85 HydrophobicContact CG2-CB 4.4Å; V65-Y88 HydrophobicContact CG1-CD2 4.08Å; V65-Y88 HydrophobicContact CG1-CE2 4.41Å
66	R	98.8	Very high	98.4	Very high	63 Å²	63	56.3 Å²	56.3	24%	0.238	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.5	175.8	-179.6	-174.8	-63.1	158.6	7.5	111.8	V54 I55 E63 F74 R75 L77	V54-R66 HydrophobicContact CG1-CG 3.94Å; I55-R66 CarbonylContact O-C 3.56Å; I55-R66 VanDerWaalsContact O-CA 3.23Å; I55-R66 WeakPolarHBondContact O-CA 3.29Å; I55-R66 WeakPolarHBondContact O-CG 3.49Å; E63-R66 IonicContact OE1-CZ 3.32Å; E63-R66 VanDerWaalsContact OE1-CZ 3.24Å; E63-R66 IonicContact OE1-NE 2.7Å; E63-R66 PolarHBondContact OE1-NE 3.16Å; E63-R66 IonicContact OE1-NH2 3.17Å; E63-R66 PolarHBondContact OE1-NH2 2.69Å; E63-R66 IonicContact OE2-CZ 2.65Å; E63-R66 IonicContact OE2-NE 3.37Å; E63-R66 IonicContact OE2-NH2 3.57Å; E63-R66 PolarHBondContact OE2-NH2 3.24Å; R66-F74 CarbonylContact O-C 3.45Å; R66-F74 VanDerWaalsContact O-CA 3.3Å; R66-F74 WeakPolarHBondContact O-CA 3.33Å; R66-R75 PolarHBondContact N-O 3.47Å; R66-R75 PolarHBondContact O-N 2.94Å; R66-L77 HydrophobicContact CB-CD1 3.94Å; R66-L77 HydrophobicContact CB-CG 4.29Å
67	F	98.9	Very high	98.3	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.5	155	174	-88.1	0	0	0	109.5	L53 V54 I55 F74 L93 T96 R97	L53-F67 HydrophobicContact CD2-CE1 4.17Å; L53-F67 HydrophobicContact CG-CD1 4.46Å; L53-F67 HydrophobicContact CG-CE1 4.32Å; V54-F67 CarbonylContact C-O 3.46Å; V54-F67 WeakPolarHBondContact CA-O 3.45Å; I55-F67 HydrophobicContact CB-CB 4.21Å; I55-F67 PolarHBondContact N-O 2.96Å; I55-F67 PolarHBondContact O-N 2.98Å; F67-F74 HydrophobicContact CB-CD1 3.58Å; F67-F74 HydrophobicContact CB-CE1 3.46Å; F67-F74 VanDerWaalsContact CB-CE1 3.46Å; F67-F74 HydrophobicContact CB-CE2 4.43Å; F67-F74 HydrophobicContact CB-CG 4.12Å; F67-F74 HydrophobicContact CB-CZ 3.94Å; F67-F74 HydrophobicContact CD2-CD2 4.2Å; F67-F74 HydrophobicContact CD2-CE2 4.14Å; F67-F74 HydrophobicContact CD2-CG 4.48Å; F67-F74 HydrophobicContact CD2-CZ 4.36Å; F67-F74 HydrophobicContact CG-CE1 4.39Å; F67-F74 HydrophobicContact CG-CZ 4.41Å; F67-L93 HydrophobicContact CD2-CD1 4.39Å; F67-L93 HydrophobicContact CE2-CD1 4.03Å; F67-T96 HydrophobicContact CB-CG2 4.11Å; F67-T96 HydrophobicContact CD1-CG2 3.5Å; F67-T96 HydrophobicContact CD2-CG2 3.7Å; F67-T96 HydrophobicContact CE1-CG2 3.73Å; F67-T96 HydrophobicContact CE2-CG2 3.92Å; F67-T96 HydrophobicContact CG-CG2 3.49Å; F67-T96 VanDerWaalsContact CG-CG2 3.49Å; F67-T96 HydrophobicContact CZ-CG2 3.93Å; F67-R97 HydrophobicContact CE2-CG 4.07Å; F67-R97 HydrophobicContact CZ-CG 3.96Å
68	D	98.8	Very high	98.3	Very high	11 Å²	11	57 Å²	57	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.9	176	-164.9	-36.8	0	0	0	108.4	R52 D70 V71 G72	R52-D68 IonicContact CZ-OD1 3.64Å; R52-D68 IonicContact CZ-OD2 3.4Å; R52-D68 IonicContact NE-OD1 2.67Å; R52-D68 PolarHBondContact NE-OD1 3.34Å; R52-D68 IonicContact NE-OD2 4Å; R52-D68 PolarHBondContact NE-OD2 3.24Å; R52-D68 IonicContact NH2-OD1 3.94Å; R52-D68 IonicContact NH2-OD2 3.12Å; R52-D68 PolarHBondContact NH2-OD2 3.47Å; D68-D70 PolarHBondContact O-N 2.92Å; D68-D70 PolarHBondContact OD1-N 3.09Å; D68-V71 HydrophobicContact CB-CB 4.23Å; D68-V71 HydrophobicContact CB-CG2 4.03Å; D68-V71 CarbonylContact O-C 3.58Å; D68-V71 WeakPolarHBondContact O-CA 3.48Å; D68-V71 PolarHBondContact O-N 2.86Å; D68-G72 PolarHBondContact O-N 3.16Å
69	S	98.6	Very high	98.2	Very high	29 Å²	29	62.4 Å²	62.4	20%	0.203	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.3	-177.1	62	0	0	0	0	113.3	R52 L53 V71 G72	R52-S69 WeakPolarHBondContact CA-OG 3.26Å; L53-S69 PolarHBondContact N-OG 2.8Å; L53-S69 PolarHBondContact O-N 3.17Å; L53-S69 PolarHBondContact O-OG 3.15Å; S69-V71 PolarHBondContact O-N 3.41Å; S69-G72 PolarHBondContact O-N 3.19Å
70	D	98.3	Very high	98.2	Very high	87 Å²	87	62.4 Å²	62.4	47%	0.465	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.2	175.8	-73.6	0.1	0	0	0	111.4	R50 R52 D68	R50-D70 IonicContact NH2-OD2 3.91Å; R52-D70 WeakPolarHBondContact CD-OD2 3.42Å; R52-D70 IonicContact CZ-OD2 2.63Å; R52-D70 IonicContact NE-OD2 2.91Å; D68-D70 PolarHBondContact O-N 2.92Å; D68-D70 PolarHBondContact OD1-N 3.09Å
71	V	98.4	Very high	98.2	Very high	84 Å²	84	59.7 Å²	59.7	51%	0.509	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-35	174.1	-178.4	0	0	0	0	111	D68 S69 E73 R75	D68-V71 HydrophobicContact CB-CB 4.23Å; D68-V71 HydrophobicContact CB-CG2 4.03Å; D68-V71 CarbonylContact O-C 3.58Å; D68-V71 WeakPolarHBondContact O-CA 3.48Å; D68-V71 PolarHBondContact O-N 2.86Å; S69-V71 PolarHBondContact O-N 3.41Å; V71-E73 HydrophobicContact CG1-CG 4.24Å; V71-R75 HydrophobicContact CG1-CG 4.38Å
72	G	98.2	Very high	98.3	Very high	14 Å²	14	54.9 Å²	54.9	14%	0.144	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	8.1	176	0	0	0	0	0	115.3	D68 S69 L93 R97	D68-G72 PolarHBondContact O-N 3.16Å; S69-G72 PolarHBondContact O-N 3.19Å; G72-L93 WeakPolarHBondContact O-CD1 3.28Å; G72-R97 PolarHBondContact O-NE 2.85Å; G72-R97 PolarHBondContact O-NH2 2.84Å
73	E	98.6	Very high	98.3	Very high	57 Å²	57	54.4 Å²	54.4	27%	0.266	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	168.1	180	68	-177.8	-172.8	0	0	114	V71 R75 N89 L93	V71-E73 HydrophobicContact CG1-CG 4.24Å; E73-R75 IonicContact OE1-CZ 2.81Å; E73-R75 IonicContact OE1-NE 3.9Å; E73-R75 PolarHBondContact OE1-NE 3.06Å; E73-R75 IonicContact OE1-NH1 3.72Å; E73-R75 IonicContact OE1-NH2 3.97Å; E73-R75 PolarHBondContact OE1-NH2 3.36Å; E73-N89 WeakPolarHBondContact CB-OD1 3.45Å; E73-L93 HydrophobicContact CB-CD1 3.91Å
74	F	98.8	Very high	98.2	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.5	173.5	-66.8	-88	0	0	0	110.6	Y57 V65 R66 F67 Y88 N89 L93 T96	Y57-F74 HydrophobicContact CE2-CD1 4.46Å; Y57-F74 AromaticContact CE2-CE1 3.91Å; Y57-F74 HydrophobicContact CE2-CE1 3.91Å; V65-F74 HydrophobicContact CG1-CB 4.22Å; V65-F74 HydrophobicContact CG1-CD1 3.97Å; R66-F74 CarbonylContact O-C 3.45Å; R66-F74 VanDerWaalsContact O-CA 3.3Å; R66-F74 WeakPolarHBondContact O-CA 3.33Å; F67-F74 HydrophobicContact CB-CD1 3.58Å; F67-F74 HydrophobicContact CB-CE1 3.46Å; F67-F74 VanDerWaalsContact CB-CE1 3.46Å; F67-F74 HydrophobicContact CB-CE2 4.43Å; F67-F74 HydrophobicContact CB-CG 4.12Å; F67-F74 HydrophobicContact CB-CZ 3.94Å; F67-F74 HydrophobicContact CD2-CD2 4.2Å; F67-F74 HydrophobicContact CD2-CE2 4.14Å; F67-F74 HydrophobicContact CD2-CG 4.48Å; F67-F74 HydrophobicContact CD2-CZ 4.36Å; F67-F74 HydrophobicContact CG-CE1 4.39Å; F67-F74 HydrophobicContact CG-CZ 4.41Å; F74-Y88 AromaticContact CD1-CD2 3.9Å; F74-Y88 HydrophobicContact CD1-CD2 3.9Å; F74-Y88 HydrophobicContact CD1-CG 4.49Å; F74-Y88 HydrophobicContact CE1-CD2 4.1Å; F74-Y88 HydrophobicContact CG-CD2 4.35Å; F74-N89 WeakPolarHBondContact CB-OD1 3.1Å; F74-N89 PolarHBondContact N-OD1 3.07Å; F74-N89 PolarHBondContact O-ND2 3.27Å; F74-L93 HydrophobicContact CD2-CD1 4.44Å; F74-T96 HydrophobicContact CE2-CG2 4.22Å; F74-T96 HydrophobicContact CZ-CG2 3.77Å; F74-T96 WeakPolarHBondContact CZ-OG1 3.35Å
75	R	98.7	Very high	98.2	Very high	142 Å²	142	53.9 Å²	53.9	54%	0.536	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.2	175.1	-68.6	-68.2	-172	166.7	-1.9	110.1	V65 R66 V71 E73	V65-R75 WeakPolarHBondContact CA-O 3.24Å; R66-R75 PolarHBondContact N-O 3.47Å; R66-R75 PolarHBondContact O-N 2.94Å; V71-R75 HydrophobicContact CG1-CG 4.38Å; E73-R75 IonicContact OE1-CZ 2.81Å; E73-R75 IonicContact OE1-NE 3.9Å; E73-R75 PolarHBondContact OE1-NE 3.06Å; E73-R75 IonicContact OE1-NH1 3.72Å; E73-R75 IonicContact OE1-NH2 3.97Å; E73-R75 PolarHBondContact OE1-NH2 3.36Å
76	A	98.4	Very high	98.2	Very high	37 Å²	37	60.9 Å²	60.9	31%	0.306	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.5	165.5	0	0	0	0	0	108.7	Y64 G81 R82 A85	Y64-A76 WeakPolarHBondContact O-CA 3.49Å; A76-G81 VanDerWaalsContact CB-C 3.42Å; A76-R82 HydrophobicContact CB-CG 4.2Å; A76-A85 HydrophobicContact CB-CB 4.02Å
77	L	98.1	Very high	98.2	Very high	79 Å²	79	63.5 Å²	63.5	41%	0.414	32%	0.322	S	S	.	.	S	Bend	trans	-94.5	-22.2	174.8	-64.9	178.7	0	0	0	111.6	E63 Y64 R66	E63-L77 HydrophobicContact CB-CD1 4.13Å; E63-L77 VanDerWaalsContact CD-CD1 3.47Å; E63-L77 HydrophobicContact CG-CD1 3.69Å; E63-L77 WeakPolarHBondContact O-CB 3.16Å; E63-L77 WeakPolarHBondContact OE1-CD1 3.33Å; Y64-L77 PolarHBondContact O-N 3.34Å; R66-L77 HydrophobicContact CB-CD1 3.94Å; R66-L77 HydrophobicContact CB-CG 4.29Å
78	T	97.8	Very high	98.2	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.239	33%	0.328	C	S	.	.	S	Bend	trans	-139.4	169.1	177.2	75.2	0	0	0	0	110.5	E62 L80 G81	E62-T78 HydrophobicContact CG-CG2 3.89Å; E62-T78 WeakPolarHBondContact OE1-CB 3.46Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.47Å; E62-T78 PolarHBondContact OE1-OG1 2.99Å; T78-L80 PolarHBondContact O-N 2.94Å; T78-G81 PolarHBondContact O-N 3.28Å
79	E	97.2	Very high	98.2	Very high	129 Å²	129	66.7 Å²	66.7	60%	0.603	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-55.5	-37.2	-179.7	-66.7	-55.6	132.6	0	0	112.8	G81 R82	E79-G81 PolarHBondContact O-N 3Å; E79-G81 VanDerWaalsContact O-N 3.15Å; E79-R82 PolarHBondContact O-N 3.34Å; E79-R82 IonicContact OE1-CZ 3.74Å; E79-R82 IonicContact OE1-NE 2.68Å; E79-R82 PolarHBondContact OE1-NE 3.05Å; E79-R82 IonicContact OE1-NH2 2.75Å; E79-R82 PolarHBondContact OE1-NH2 3.42Å; E79-R82 IonicContact OE2-CZ 3.24Å; E79-R82 IonicContact OE2-NE 3Å; E79-R82 PolarHBondContact OE2-NE 2.99Å; E79-R82 IonicContact OE2-NH2 2.99Å; E79-R82 PolarHBondContact OE2-NH2 3.48Å
80	L	96.5	Very high	98.1	Very high	88 Å²	88	73.7 Å²	73.7	46%	0.461	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-56.2	-32.3	177.6	-178.6	64.3	0	0	0	112.2	Y59 Y64 T78	Y59-L80 HydrophobicContact CD1-CD2 4.26Å; Y59-L80 HydrophobicContact CG-CD2 4.49Å; Y64-L80 HydrophobicContact CD1-CD2 4.49Å; Y64-L80 HydrophobicContact CD2-CD2 4.46Å; Y64-L80 HydrophobicContact CD2-CG 4.24Å; Y64-L80 HydrophobicContact CG-CD2 4.08Å; Y64-L80 HydrophobicContact CG-CG 4.3Å; T78-L80 PolarHBondContact O-N 2.94Å
81	G	98.1	Very high	98.1	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-88.9	-10	-174.4	0	0	0	0	0	117	Y64 V65 A76 T78 E79 S84 A85	Y64-G81 WeakPolarHBondContact O-CA 3.46Å; V65-G81 VanDerWaalsContact CG2-CA 3.43Å; V65-G81 VanDerWaalsContact CG2-O 3.26Å; V65-G81 WeakPolarHBondContact CG2-O 3.46Å; A76-G81 VanDerWaalsContact CB-C 3.42Å; T78-G81 PolarHBondContact O-N 3.28Å; E79-G81 PolarHBondContact O-N 3Å; E79-G81 VanDerWaalsContact O-N 3.15Å; G81-S84 PolarHBondContact O-N 3.11Å; G81-A85 WeakPolarHBondContact O-CB 3.32Å; G81-A85 PolarHBondContact O-N 2.93Å
82	R	98.1	Very high	98.1	Very high	144 Å²	144	74.7 Å²	74.7	54%	0.543	36%	0.356	S	S	.	.	H	α-helix	trans	-51.5	-54.2	179.5	-67.8	-171	-167.9	-149.8	6.8	113.4	A76 E79 S84 A85 E86	A76-R82 HydrophobicContact CB-CG 4.2Å; E79-R82 PolarHBondContact O-N 3.34Å; E79-R82 IonicContact OE1-CZ 3.74Å; E79-R82 IonicContact OE1-NE 2.68Å; E79-R82 PolarHBondContact OE1-NE 3.05Å; E79-R82 IonicContact OE1-NH2 2.75Å; E79-R82 PolarHBondContact OE1-NH2 3.42Å; E79-R82 IonicContact OE2-CZ 3.24Å; E79-R82 IonicContact OE2-NE 3Å; E79-R82 PolarHBondContact OE2-NE 2.99Å; E79-R82 IonicContact OE2-NH2 2.99Å; E79-R82 PolarHBondContact OE2-NH2 3.48Å; R82-S84 VanDerWaalsContact C-N 3.29Å; R82-S84 PolarHBondContact O-N 2.97Å; R82-A85 PolarHBondContact O-N 3.34Å; R82-E86 PolarHBondContact O-N 2.94Å
83	P	98	Very high	98.1	Very high	86 Å²	86	75 Å²	75	56%	0.558	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-35.8	-178.8	25.1	-35	0	0	0	112.5	Y87	P83-Y87 WeakPolarHBondContact O-CB 3.42Å; P83-Y87 PolarHBondContact O-N 3.1Å
84	S	97.8	Very high	98.1	Very high	29 Å²	29	78.4 Å²	78.4	20%	0.203	37%	0.37	C	S	.	.	H	α-helix	trans	-69.7	-41.2	179	-65	0	0	0	0	112.4	G81 R82 Y87 Y88	G81-S84 PolarHBondContact O-N 3.11Å; R82-S84 VanDerWaalsContact C-N 3.29Å; R82-S84 PolarHBondContact O-N 2.97Å; S84-Y87 PolarHBondContact O-N 3.3Å; S84-Y88 VanDerWaalsContact O-CB 3.31Å; S84-Y88 WeakPolarHBondContact O-CB 3.02Å; S84-Y88 PolarHBondContact O-N 2.9Å
85	A	98.5	Very high	98.1	Very high	8 Å²	8	86.8 Å²	86.8	7%	0.066	40%	0.401	C	S	.	.	H	α-helix	trans	-62.5	-44.1	179	0	0	0	0	0	111.7	V65 A76 G81 R82 N89	V65-A85 HydrophobicContact CG2-CB 4.4Å; A76-A85 HydrophobicContact CB-CB 4.02Å; G81-A85 WeakPolarHBondContact O-CB 3.32Å; G81-A85 PolarHBondContact O-N 2.93Å; R82-A85 PolarHBondContact O-N 3.34Å; A85-N89 WeakPolarHBondContact O-CB 3.13Å; A85-N89 PolarHBondContact O-N 3.42Å; A85-N89 PolarHBondContact O-ND2 3.26Å
86	E	98	Very high	98.1	Very high	148 Å²	148	80.4 Å²	80.4	69%	0.692	38%	0.378	S	S	*	.	H	α-helix	trans	-60.6	-48.6	175.6	-70	177.1	-172.2	0	0	111.8	R82 K90	R82-E86 PolarHBondContact O-N 2.94Å; E86-K90 PolarHBondContact O-N 3.33Å
87	Y	98.2	Very high	98.1	Very high	118 Å²	118	83.4 Å²	83.4	46%	0.463	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-45.5	179.2	176.7	-104.5	0	0	0	112.3	P83 S84 N89 K90 Q91 Y92	P83-Y87 WeakPolarHBondContact O-CB 3.42Å; P83-Y87 PolarHBondContact O-N 3.1Å; S84-Y87 PolarHBondContact O-N 3.3Å; Y87-N89 PolarHBondContact O-N 3.2Å; Y87-K90 PolarHBondContact O-N 2.89Å; Y87-Q91 HydrophobicContact CD2-CG 3.93Å; Y87-Q91 HydrophobicContact CE1-CG 4.25Å; Y87-Q91 HydrophobicContact CE2-CG 3.49Å; Y87-Q91 VanDerWaalsContact CE2-CG 3.49Å; Y87-Q91 HydrophobicContact CG-CG 4.47Å; Y87-Q91 WeakPolarHBondContact O-CG 3.48Å; Y87-Q91 PolarHBondContact O-N 2.65Å; Y87-Y92 HydrophobicContact CD1-CE2 4.33Å; Y87-Y92 AromaticContact CE1-CE2 3.7Å; Y87-Y92 HydrophobicContact CE1-CE2 3.7Å; Y87-Y92 PolarHBondContact OH-OH 3.07Å
88	Y	98.5	Very high	98.1	Very high	39 Å²	39	81.9 Å²	81.9	15%	0.153	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-38.9	-179.5	-67.7	-10.6	0	0	0	112.5	Y57 V65 F74 S84 K90 Q91 Y92 L93	Y57-Y88 HydrophobicContact CD2-CE2 4.04Å; Y57-Y88 HydrophobicContact CE1-CE2 4.28Å; Y57-Y88 HydrophobicContact CE2-CD2 4.2Å; Y57-Y88 AromaticContact CE2-CE2 3.8Å; Y57-Y88 HydrophobicContact CE2-CE2 3.8Å; Y57-Y88 HydrophobicContact CG-CE2 4.39Å; Y57-Y88 AromaticContact CZ-CE2 3.92Å; V65-Y88 HydrophobicContact CG1-CD2 4.08Å; V65-Y88 HydrophobicContact CG1-CE2 4.41Å; F74-Y88 AromaticContact CD1-CD2 3.9Å; F74-Y88 HydrophobicContact CD1-CD2 3.9Å; F74-Y88 HydrophobicContact CD1-CG 4.49Å; F74-Y88 HydrophobicContact CE1-CD2 4.1Å; F74-Y88 HydrophobicContact CG-CD2 4.35Å; S84-Y88 VanDerWaalsContact O-CB 3.31Å; S84-Y88 WeakPolarHBondContact O-CB 3.02Å; S84-Y88 PolarHBondContact O-N 2.9Å; Y88-K90 PolarHBondContact O-N 3.17Å; Y88-Q91 PolarHBondContact O-N 3.38Å; Y88-Y92 AromaticContact CD1-CD2 3.62Å; Y88-Y92 HydrophobicContact CD1-CD2 3.62Å; Y88-Y92 AromaticContact CD1-CE2 3.75Å; Y88-Y92 HydrophobicContact CD1-CE2 3.75Å; Y88-Y92 HydrophobicContact CE1-CD2 4.3Å; Y88-Y92 HydrophobicContact CE1-CE2 4.08Å; Y88-Y92 HydrophobicContact CG-CD2 4.19Å; Y88-Y92 PolarHBondContact O-N 3Å; Y88-L93 PolarHBondContact O-N 2.66Å
89	N	98.7	Very high	98.1	Very high	41 Å²	41	82.2 Å²	82.2	22%	0.219	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-31.1	174.9	-77.6	-36.4	0	0	0	112.6	E73 F74 A85 Y87 L93	E73-N89 WeakPolarHBondContact CB-OD1 3.45Å; F74-N89 WeakPolarHBondContact CB-OD1 3.1Å; F74-N89 PolarHBondContact N-OD1 3.07Å; F74-N89 PolarHBondContact O-ND2 3.27Å; A85-N89 WeakPolarHBondContact O-CB 3.13Å; A85-N89 PolarHBondContact O-N 3.42Å; A85-N89 PolarHBondContact O-ND2 3.26Å; Y87-N89 PolarHBondContact O-N 3.2Å; N89-L93 VanDerWaalsContact O-CB 3.25Å; N89-L93 WeakPolarHBondContact O-CB 3.38Å
90	K	98.1	Very high	98.2	Very high	176 Å²	176	77.7 Å²	77.7	77%	0.765	36%	0.359	S	S	*	.	H	α-helix	trans	-77.6	-38.7	176.4	-172.4	176	178.6	177.7	0	113.2	E86 Y87 Y88	E86-K90 PolarHBondContact O-N 3.33Å; Y87-K90 PolarHBondContact O-N 2.89Å; Y88-K90 PolarHBondContact O-N 3.17Å
91	Q	98	Very high	98.3	Very high	98 Å²	98	77.2 Å²	77.2	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-100.7	-31.2	-168.8	-60.4	-56.8	-33.7	0	0	114.7	Y87 Y88	Y87-Q91 HydrophobicContact CD2-CG 3.93Å; Y87-Q91 HydrophobicContact CE1-CG 4.25Å; Y87-Q91 HydrophobicContact CE2-CG 3.49Å; Y87-Q91 VanDerWaalsContact CE2-CG 3.49Å; Y87-Q91 HydrophobicContact CG-CG 4.47Å; Y87-Q91 WeakPolarHBondContact O-CG 3.48Å; Y87-Q91 PolarHBondContact O-N 2.65Å; Y88-Q91 PolarHBondContact O-N 3.38Å
92	Y	97.9	Very high	98.3	Very high	93 Å²	93	81.5 Å²	81.5	37%	0.365	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-9.5	-165.5	-54.5	-54.9	0	0	0	114.6	Y87 Y88 E94 R95 T96	Y87-Y92 HydrophobicContact CD1-CE2 4.33Å; Y87-Y92 AromaticContact CE1-CE2 3.7Å; Y87-Y92 HydrophobicContact CE1-CE2 3.7Å; Y87-Y92 PolarHBondContact OH-OH 3.07Å; Y88-Y92 AromaticContact CD1-CD2 3.62Å; Y88-Y92 HydrophobicContact CD1-CD2 3.62Å; Y88-Y92 AromaticContact CD1-CE2 3.75Å; Y88-Y92 HydrophobicContact CD1-CE2 3.75Å; Y88-Y92 HydrophobicContact CE1-CD2 4.3Å; Y88-Y92 HydrophobicContact CE1-CE2 4.08Å; Y88-Y92 HydrophobicContact CG-CD2 4.19Å; Y88-Y92 PolarHBondContact O-N 3Å; Y92-E94 PolarHBondContact O-N 3.48Å; Y92-R95 PolarHBondContact O-N 3.08Å; Y92-R95 VanDerWaalsContact O-N 3.16Å; Y92-T96 PolarHBondContact O-N 3.48Å; Y92-T96 PolarHBondContact O-OG1 2.9Å
93	L	98.4	Very high	98.3	Very high	22 Å²	22	77.4 Å²	77.4	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-51.1	-53.9	-170.9	-175.9	55.3	0	0	0	114.4	F67 G72 E73 F74 Y88 N89 R95 T96 R97	F67-L93 HydrophobicContact CD2-CD1 4.39Å; F67-L93 HydrophobicContact CE2-CD1 4.03Å; G72-L93 WeakPolarHBondContact O-CD1 3.28Å; E73-L93 HydrophobicContact CB-CD1 3.91Å; F74-L93 HydrophobicContact CD2-CD1 4.44Å; Y88-L93 PolarHBondContact O-N 2.66Å; N89-L93 VanDerWaalsContact O-CB 3.25Å; N89-L93 WeakPolarHBondContact O-CB 3.38Å; L93-R95 VanDerWaalsContact C-N 3.35Å; L93-R95 PolarHBondContact O-N 3.25Å; L93-T96 PolarHBondContact O-N 3.08Å; L93-R97 HydrophobicContact CD1-CG 4.47Å; L93-R97 WeakPolarHBondContact O-CG 3.02Å; L93-R97 PolarHBondContact O-N 2.94Å
94	E	98.4	Very high	98.3	Very high	127 Å²	127	73.3 Å²	73.3	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-65.8	-38.3	-177.5	-64.3	-50.6	125.1	0	0	112.4	Y92 R97 A98	Y92-E94 PolarHBondContact O-N 3.48Å; E94-R97 PolarHBondContact O-N 2.85Å; E94-R97 IonicContact OE1-CZ 3.61Å; E94-R97 IonicContact OE1-NH1 2.68Å; E94-R97 PolarHBondContact OE1-NH1 2.9Å; E94-R97 IonicContact OE2-NH1 3.83Å; E94-A98 PolarHBondContact O-N 2.8Å
95	R	98.2	Very high	98.4	Very high	180 Å²	180	75.3 Å²	75.3	68%	0.679	35%	0.35	S	S	*	.	H	α-helix	trans	-62.8	-46.7	174.7	-179.8	179.1	173.6	169.5	2.6	110.7	Y92 L93 R97 A98 E99	Y92-R95 PolarHBondContact O-N 3.08Å; Y92-R95 VanDerWaalsContact O-N 3.16Å; L93-R95 VanDerWaalsContact C-N 3.35Å; L93-R95 PolarHBondContact O-N 3.25Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 2.88Å; R95-A98 WeakPolarHBondContact O-CB 3.46Å; R95-A98 PolarHBondContact O-N 2.76Å; R95-A98 VanDerWaalsContact O-N 3.14Å; R95-E99 IonicContact NE-OE1 2.78Å; R95-E99 PolarHBondContact O-N 3.35Å; R95-E99 VanDerWaalsContact O-N 3.13Å
96	T	98.5	Very high	98.4	Very high	7 Å²	7	79.4 Å²	79.4	4%	0.043	37%	0.368	C	S	.	.	H	α-helix	trans	-65.6	-35.2	179.4	-61.2	0	0	0	0	112.4	I55 F67 F74 Y92 L93 A98 E99	I55-T96 HydrophobicContact CD1-CG2 3.58Å; F67-T96 HydrophobicContact CB-CG2 4.11Å; F67-T96 HydrophobicContact CD1-CG2 3.5Å; F67-T96 HydrophobicContact CD2-CG2 3.7Å; F67-T96 HydrophobicContact CE1-CG2 3.73Å; F67-T96 HydrophobicContact CE2-CG2 3.92Å; F67-T96 HydrophobicContact CG-CG2 3.49Å; F67-T96 VanDerWaalsContact CG-CG2 3.49Å; F67-T96 HydrophobicContact CZ-CG2 3.93Å; F74-T96 HydrophobicContact CE2-CG2 4.22Å; F74-T96 HydrophobicContact CZ-CG2 3.77Å; F74-T96 WeakPolarHBondContact CZ-OG1 3.35Å; Y92-T96 PolarHBondContact O-N 3.48Å; Y92-T96 PolarHBondContact O-OG1 2.9Å; L93-T96 PolarHBondContact O-N 3.08Å; T96-A98 VanDerWaalsContact C-N 3.33Å; T96-A98 PolarHBondContact O-N 2.82Å; T96-E99 WeakPolarHBondContact O-CB 3.44Å; T96-E99 PolarHBondContact O-N 3.02Å
97	R	98.6	Very high	98.4	Very high	101 Å²	101	75.4 Å²	75.4	38%	0.381	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-43.5	170.9	-74	170.3	175.2	173	-5.3	111.4	F67 G72 L93 E94 R95 E99 L100	F67-R97 HydrophobicContact CE2-CG 4.07Å; F67-R97 HydrophobicContact CZ-CG 3.96Å; G72-R97 PolarHBondContact O-NE 2.85Å; G72-R97 PolarHBondContact O-NH2 2.84Å; L93-R97 HydrophobicContact CD1-CG 4.47Å; L93-R97 WeakPolarHBondContact O-CG 3.02Å; L93-R97 PolarHBondContact O-N 2.94Å; E94-R97 PolarHBondContact O-N 2.85Å; E94-R97 IonicContact OE1-CZ 3.61Å; E94-R97 IonicContact OE1-NH1 2.68Å; E94-R97 PolarHBondContact OE1-NH1 2.9Å; E94-R97 IonicContact OE2-NH1 3.83Å; R95-R97 VanDerWaalsContact C-N 3.33Å; R95-R97 PolarHBondContact O-N 2.88Å; R97-E99 VanDerWaalsContact C-N 3.26Å; R97-E99 PolarHBondContact O-N 2.81Å; R97-L100 WeakPolarHBondContact O-CB 3.31Å; R97-L100 PolarHBondContact O-N 2.95Å
98	A	98.6	Very high	98.4	Very high	47 Å²	47	72 Å²	72	39%	0.388	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-20.8	178.5	0	0	0	0	0	113.9	E94 R95 T96 L100 D101 T102	E94-A98 PolarHBondContact O-N 2.8Å; R95-A98 WeakPolarHBondContact O-CB 3.46Å; R95-A98 PolarHBondContact O-N 2.76Å; R95-A98 VanDerWaalsContact O-N 3.14Å; T96-A98 VanDerWaalsContact C-N 3.33Å; T96-A98 PolarHBondContact O-N 2.82Å; A98-L100 PolarHBondContact O-N 3.03Å; A98-D101 PolarHBondContact O-N 2.82Å; A98-T102 WeakPolarHBondContact O-CB 3.46Å; A98-T102 WeakPolarHBondContact O-CG2 3.41Å; A98-T102 PolarHBondContact O-N 2.99Å; A98-T102 PolarHBondContact O-OG1 2.84Å
99	E	98.6	Very high	98.4	Very high	46 Å²	46	73.8 Å²	73.8	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-20.9	175.9	-72.3	172.5	-178.8	0	0	113	L53 I55 R95 T96 R97 D101 T102 V103 C104	L53-E99 HydrophobicContact CD2-CB 3.83Å; I55-E99 WeakPolarHBondContact CD1-OE2 3.42Å; R95-E99 IonicContact NE-OE1 2.78Å; R95-E99 PolarHBondContact O-N 3.35Å; R95-E99 VanDerWaalsContact O-N 3.13Å; T96-E99 WeakPolarHBondContact O-CB 3.44Å; T96-E99 PolarHBondContact O-N 3.02Å; R97-E99 VanDerWaalsContact C-N 3.26Å; R97-E99 PolarHBondContact O-N 2.81Å; E99-D101 VanDerWaalsContact C-N 3.27Å; E99-D101 PolarHBondContact O-N 2.76Å; E99-T102 WeakPolarHBondContact CA-OG1 3.23Å; E99-V103 HydrophobicContact CB-CB 4.37Å; E99-V103 HydrophobicContact CB-CG2 4Å; E99-V103 HydrophobicContact CG-CG2 3.95Å; E99-V103 WeakPolarHBondContact O-CA 3.44Å; E99-V103 VanDerWaalsContact O-CB 3.25Å; E99-V103 WeakPolarHBondContact O-CB 3.3Å; E99-V103 PolarHBondContact O-N 2.83Å; E99-C104 PolarHBondContact O-N 2.78Å
100	L	98.4	Very high	98.3	Very high	34 Å²	34	77.6 Å²	77.6	18%	0.178	36%	0.364	C	S	.	.	I	π-helix	trans	-57.4	-42.9	172.6	-174.7	152.1	0	0	0	111.2	I51 L53 R97 A98 C104 R105	I51-L100 HydrophobicContact CB-CD2 4.21Å; I51-L100 HydrophobicContact CB-CG 4.38Å; I51-L100 HydrophobicContact CG2-CD2 4.44Å; I51-L100 HydrophobicContact CG2-CG 4.17Å; L53-L100 HydrophobicContact CB-CB 4.43Å; L53-L100 HydrophobicContact CD2-CB 4.46Å; R97-L100 WeakPolarHBondContact O-CB 3.31Å; R97-L100 PolarHBondContact O-N 2.95Å; A98-L100 PolarHBondContact O-N 3.03Å; L100-C104 VanDerWaalsContact O-CB 3.23Å; L100-C104 WeakPolarHBondContact O-CB 3.28Å; L100-C104 PolarHBondContact O-N 2.93Å; L100-R105 PolarHBondContact O-N 2.73Å
101	D	98.4	Very high	98.3	Very high	78 Å²	78	72.1 Å²	72.1	42%	0.417	35%	0.345	S	S	.	.	I	π-helix	trans	-92.3	-46.6	178.6	-66.9	-52.6	0	0	0	111.7	A98 E99 V103 R105 H106	A98-D101 PolarHBondContact O-N 2.82Å; E99-D101 VanDerWaalsContact C-N 3.27Å; E99-D101 PolarHBondContact O-N 2.76Å; D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.82Å; D101-R105 WeakPolarHBondContact O-CB 3.28Å; D101-R105 IonicContact OD1-CZ 3.92Å; D101-R105 IonicContact OD1-NE 3.7Å; D101-R105 PolarHBondContact OD1-NE 3.43Å; D101-R105 IonicContact OD1-NH2 3.16Å; D101-R105 PolarHBondContact OD1-NH2 2.89Å; D101-R105 VanDerWaalsContact OD1-NH2 3.12Å; D101-H106 PolarHBondContact O-N 2.83Å
102	T	98.4	Very high	98.3	Very high	89 Å²	89	70.5 Å²	70.5	55%	0.546	34%	0.338	S	S	.	.	I	π-helix	trans	-71.8	-19.8	-173.9	59.8	0	0	0	0	113.8	A98 E99 H106	A98-T102 WeakPolarHBondContact O-CB 3.46Å; A98-T102 WeakPolarHBondContact O-CG2 3.41Å; A98-T102 PolarHBondContact O-N 2.99Å; A98-T102 PolarHBondContact O-OG1 2.84Å; E99-T102 WeakPolarHBondContact CA-OG1 3.23Å; T102-H106 WeakPolarHBondContact O-CB 3.22Å
103	V	98.3	Very high	98.3	Very high	58 Å²	58	68.4 Å²	68.4	35%	0.352	34%	0.335	S	S	.	.	I	π-helix	trans	-115.8	-61.8	176.2	-177	0	0	0	0	110.7	E99 D101 N107	E99-V103 HydrophobicContact CB-CB 4.37Å; E99-V103 HydrophobicContact CB-CG2 4Å; E99-V103 HydrophobicContact CG-CG2 3.95Å; E99-V103 WeakPolarHBondContact O-CA 3.44Å; E99-V103 VanDerWaalsContact O-CB 3.25Å; E99-V103 WeakPolarHBondContact O-CB 3.3Å; E99-V103 PolarHBondContact O-N 2.83Å; D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.82Å; V103-N107 WeakPolarHBondContact O-CB 3.43Å; V103-N107 PolarHBondContact O-N 2.95Å; V103-N107 PolarHBondContact O-ND2 2.89Å
104	C	98.6	Very high	98.2	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.35	C	S	.	.	I	π-helix	trans	-66.3	-56.3	-172.3	-58	0	0	0	0	111.9	C42 Y44 I51 E99 L100 Y108	C42-C104 HydrophobicContact CB-CB 3.56Å; C42-C104 WeakPolarHBondContact CB-SG 3.45Å; C42-C104 WeakPolarHBondContact SG-CA 3.05Å; C42-C104 WeakPolarHBondContact SG-CB 3.44Å; C42-C104 CovalentContact SG-SG 2.03Å; C42-C104 PolarHBondContact SG-SG 2.83Å; Y44-C104 HydrophobicContact CE1-CB 4.1Å; Y44-C104 WeakPolarHBondContact OH-CA 3.14Å; Y44-C104 PolarHBondContact OH-O 2.97Å; I51-C104 HydrophobicContact CG2-CB 3.69Å; E99-C104 PolarHBondContact O-N 2.78Å; L100-C104 VanDerWaalsContact O-CB 3.23Å; L100-C104 WeakPolarHBondContact O-CB 3.28Å; L100-C104 PolarHBondContact O-N 2.93Å; C104-Y108 WeakPolarHBondContact O-CB 3.41Å; C104-Y108 PolarHBondContact O-N 2.93Å
105	R	98.6	Very high	98.1	Very high	72 Å²	72	68.4 Å²	68.4	27%	0.272	35%	0.345	S	S	.	.	I	π-helix	trans	-60.9	-49.4	179.4	-172.7	-176.9	-55.1	-74.7	-8.6	111.3	T48 I51 L100 D101 N107 Y108 E109	T48-R105 VanDerWaalsContact CB-NH1 3.32Å; T48-R105 HydrophobicContact CG2-CG 4.22Å; T48-R105 PolarHBondContact O-NH1 3.13Å; T48-R105 PolarHBondContact OG1-NH1 3.4Å; I51-R105 HydrophobicContact CD1-CB 3.72Å; I51-R105 HydrophobicContact CD1-CG 4.22Å; L100-R105 PolarHBondContact O-N 2.73Å; D101-R105 WeakPolarHBondContact O-CB 3.28Å; D101-R105 IonicContact OD1-CZ 3.92Å; D101-R105 IonicContact OD1-NE 3.7Å; D101-R105 PolarHBondContact OD1-NE 3.43Å; D101-R105 IonicContact OD1-NH2 3.16Å; D101-R105 PolarHBondContact OD1-NH2 2.89Å; D101-R105 VanDerWaalsContact OD1-NH2 3.12Å; R105-N107 PolarHBondContact O-N 2.82Å; R105-Y108 PolarHBondContact O-N 2.95Å; R105-E109 VanDerWaalsContact CG-CD 3.48Å; R105-E109 HydrophobicContact CG-CG 4.37Å; R105-E109 VanDerWaalsContact CG-OE1 3.25Å; R105-E109 WeakPolarHBondContact CG-OE1 3.47Å; R105-E109 WeakPolarHBondContact O-CB 3.36Å; R105-E109 WeakPolarHBondContact O-CG 3.35Å; R105-E109 PolarHBondContact O-N 2.02Å
106	H	98.2	Very high	98	Very high	94 Å²	94	60.6 Å²	60.6	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-55	-52.5	178.9	179.2	67.7	0	0	0	112.5	D101 T102 Y108 E109 E110	D101-H106 PolarHBondContact O-N 2.83Å; T102-H106 WeakPolarHBondContact O-CB 3.22Å; H106-Y108 VanDerWaalsContact C-N 3.34Å; H106-Y108 PolarHBondContact O-N 3.02Å; H106-E109 PolarHBondContact O-N 2.96Å; H106-E110 VanDerWaalsContact O-CB 3.27Å; H106-E110 WeakPolarHBondContact O-CB 3.27Å; H106-E110 WeakPolarHBondContact O-CG 3.4Å; H106-E110 PolarHBondContact O-N 2.98Å
107	N	98.4	Very high	98	Very high	63 Å²	63	64.6 Å²	64.6	34%	0.337	34%	0.339	S	S	.	.	I	π-helix	trans	-63.6	-41.2	179.5	-68.6	-7.8	0	0	0	111.3	V103 R105 E109 T111 E112	V103-N107 WeakPolarHBondContact O-CB 3.43Å; V103-N107 PolarHBondContact O-N 2.95Å; V103-N107 PolarHBondContact O-ND2 2.89Å; R105-N107 PolarHBondContact O-N 2.82Å; N107-E109 PolarHBondContact O-N 2.68Å; N107-T111 WeakPolarHBondContact O-CA 3.48Å; N107-T111 PolarHBondContact O-N 3.3Å; N107-T111 PolarHBondContact O-OG1 3.13Å; N107-E112 PolarHBondContact O-N 2.89Å
108	Y	98.4	Very high	97.9	Very high	46 Å²	46	68.2 Å²	68.2	18%	0.18	35%	0.353	C	S	.	.	I	π-helix	trans	-57.1	-52	176.8	-172.3	-79.2	0	0	0	111.4	Y44 G47 T48 C104 R105 H106 E112 V113 L117	Y44-Y108 AromaticContact CD1-CD2 3.46Å; Y44-Y108 HydrophobicContact CD1-CD2 3.46Å; Y44-Y108 VanDerWaalsContact CD1-CD2 3.46Å; Y44-Y108 HydrophobicContact CD1-CE2 4.11Å; Y44-Y108 HydrophobicContact CD1-CG 4.02Å; Y44-Y108 AromaticContact CD2-CD2 3.73Å; Y44-Y108 HydrophobicContact CD2-CD2 3.73Å; Y44-Y108 HydrophobicContact CD2-CE2 4.17Å; Y44-Y108 AromaticContact CE1-CD2 3.68Å; Y44-Y108 HydrophobicContact CE1-CD2 3.68Å; Y44-Y108 AromaticContact CE1-CG 3.97Å; Y44-Y108 HydrophobicContact CE1-CG 3.97Å; Y44-Y108 AromaticContact CE2-CD2 3.92Å; Y44-Y108 HydrophobicContact CE2-CD2 3.92Å; Y44-Y108 AromaticContact CG-CD2 3.49Å; Y44-Y108 HydrophobicContact CG-CD2 3.49Å; Y44-Y108 VanDerWaalsContact CG-CD2 3.49Å; Y44-Y108 AromaticContact CG-CE2 3.82Å; Y44-Y108 HydrophobicContact CG-CE2 3.82Å; Y44-Y108 HydrophobicContact CG-CG 4.47Å; Y44-Y108 AromaticContact CZ-CD2 3.9Å; G47-Y108 WeakPolarHBondContact CA-OH 3.47Å; T48-Y108 HydrophobicContact CG2-CD1 3.31Å; T48-Y108 HydrophobicContact CG2-CE1 3.94Å; T48-Y108 HydrophobicContact CG2-CG 3.66Å; C104-Y108 WeakPolarHBondContact O-CB 3.41Å; C104-Y108 PolarHBondContact O-N 2.93Å; R105-Y108 PolarHBondContact O-N 2.95Å; H106-Y108 VanDerWaalsContact C-N 3.34Å; H106-Y108 PolarHBondContact O-N 3.02Å; Y108-E112 PolarHBondContact O-N 2.85Å; Y108-V113 HydrophobicContact CD1-CG2 4.16Å; Y108-V113 HydrophobicContact CE1-CG2 4.03Å; Y108-V113 VanDerWaalsContact O-CG2 3.29Å; Y108-V113 WeakPolarHBondContact O-CG2 3.23Å; Y108-V113 PolarHBondContact O-N 2.91Å; Y108-L117 HydrophobicContact CD1-CD1 4.35Å; Y108-L117 HydrophobicContact CD2-CD1 4.39Å; Y108-L117 HydrophobicContact CE1-CD1 3.71Å; Y108-L117 HydrophobicContact CE2-CD1 3.76Å; Y108-L117 WeakPolarHBondContact OH-CD1 3.32Å
109	E	97.9	Very high	97.8	Very high	78 Å²	78	69.6 Å²	69.6	36%	0.364	35%	0.348	S	S	.	.	I	π-helix	trans	-74.8	-39.9	-172.4	-70.1	171.3	-176.4	0	0	112.6	T48 R105 H106 N107 V113	T48-E109 WeakPolarHBondContact CB-OE1 3.31Å; T48-E109 HydrophobicContact CG2-CG 3.88Å; T48-E109 WeakPolarHBondContact CG2-OE1 3.39Å; T48-E109 PolarHBondContact OG1-OE1 2.93Å; R105-E109 VanDerWaalsContact CG-CD 3.48Å; R105-E109 HydrophobicContact CG-CG 4.37Å; R105-E109 VanDerWaalsContact CG-OE1 3.25Å; R105-E109 WeakPolarHBondContact CG-OE1 3.47Å; R105-E109 WeakPolarHBondContact O-CB 3.36Å; R105-E109 WeakPolarHBondContact O-CG 3.35Å; R105-E109 PolarHBondContact O-N 2.02Å; H106-E109 PolarHBondContact O-N 2.96Å; N107-E109 PolarHBondContact O-N 2.68Å; E109-V113 WeakPolarHBondContact O-CB 3.46Å
110	E	97.7	Very high	97.8	Very high	121 Å²	121	71.9 Å²	71.9	57%	0.565	36%	0.361	S	S	*	.	I	π-helix	trans	-96	-30.9	-171.8	-58.4	-60.5	157.6	0	0	113.4	H106 P114	H106-E110 VanDerWaalsContact O-CB 3.27Å; H106-E110 WeakPolarHBondContact O-CB 3.27Å; H106-E110 WeakPolarHBondContact O-CG 3.4Å; H106-E110 PolarHBondContact O-N 2.98Å; E110-P114 VanDerWaalsContact O-CG 3.3Å; E110-P114 WeakPolarHBondContact O-CG 3.05Å
111	T	97.5	Very high	97.8	Very high	60 Å²	60	73.5 Å²	73.5	37%	0.368	37%	0.368	S	S	.	.	I	π-helix	trans	-110.5	-47.7	-175.5	70.9	0	0	0	0	112.8	N107 P114 T115	N107-T111 WeakPolarHBondContact O-CA 3.48Å; N107-T111 PolarHBondContact O-N 3.3Å; N107-T111 PolarHBondContact O-OG1 3.13Å; T111-P114 WeakPolarHBondContact O-CD 3.4Å; T111-P114 WeakPolarHBondContact O-CG 3.14Å; T111-T115 PolarHBondContact O-N 2.9Å; T111-T115 PolarHBondContact O-OG1 3.08Å
112	E	97.9	Very high	97.8	Very high	65 Å²	65	76.1 Å²	76.1	30%	0.304	38%	0.378	S	S	.	.	I	π-helix	trans	-76.1	-40.4	-174.5	-58.2	-56.4	144.7	0	0	112.9	N107 Y108 T115 S116 L117	N107-E112 PolarHBondContact O-N 2.89Å; Y108-E112 PolarHBondContact O-N 2.85Å; E112-T115 CarbonylContact O-C 3.52Å; E112-T115 PolarHBondContact O-N 2.83Å; E112-T115 VanDerWaalsContact O-N 3.13Å; E112-S116 PolarHBondContact O-N 3.31Å; E112-S116 WeakPolarHBondContact OE2-CB 3.45Å; E112-S116 PolarHBondContact OE2-OG 2.93Å; E112-L117 HydrophobicContact CB-CD1 4.19Å; E112-L117 HydrophobicContact CB-CG 4.17Å; E112-L117 WeakPolarHBondContact O-CB 3.39Å; E112-L117 PolarHBondContact O-N 2.91Å
113	V	97.6	Very high	97.8	Very high	49 Å²	49	72.5 Å²	72.5	30%	0.297	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-50	176.2	164.2	0	0	0	0	112.8	Y108 E109 T115 L117 R118	Y108-V113 HydrophobicContact CD1-CG2 4.16Å; Y108-V113 HydrophobicContact CE1-CG2 4.03Å; Y108-V113 VanDerWaalsContact O-CG2 3.29Å; Y108-V113 WeakPolarHBondContact O-CG2 3.23Å; Y108-V113 PolarHBondContact O-N 2.91Å; E109-V113 WeakPolarHBondContact O-CB 3.46Å; V113-T115 VanDerWaalsContact C-N 3.31Å; V113-T115 PolarHBondContact O-N 3.01Å; V113-L117 HydrophobicContact CG2-CD1 3.89Å; V113-R118 VanDerWaalsContact O-CD 3.29Å; V113-R118 WeakPolarHBondContact O-CD 3.48Å; V113-R118 WeakPolarHBondContact O-CG 3.41Å; V113-R118 PolarHBondContact O-NE 3.29Å
114	P	97.3	Very high	97.8	Very high	67 Å²	67	74.2 Å²	74.2	44%	0.435	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.5	178.9	27.9	-34.5	0	0	0	114.2	E110 T111	E110-P114 VanDerWaalsContact O-CG 3.3Å; E110-P114 WeakPolarHBondContact O-CG 3.05Å; T111-P114 WeakPolarHBondContact O-CD 3.4Å; T111-P114 WeakPolarHBondContact O-CG 3.14Å
115	T	96.5	Very high	97.8	Very high	81 Å²	81	75.1 Å²	75.1	50%	0.497	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-95.7	-174.6	63.6	0	0	0	0	112.2	T111 E112 V113 L117 R118 R119	T111-T115 PolarHBondContact O-N 2.9Å; T111-T115 PolarHBondContact O-OG1 3.08Å; E112-T115 CarbonylContact O-C 3.52Å; E112-T115 PolarHBondContact O-N 2.83Å; E112-T115 VanDerWaalsContact O-N 3.13Å; V113-T115 VanDerWaalsContact C-N 3.31Å; V113-T115 PolarHBondContact O-N 3.01Å; T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 PolarHBondContact O-N 3.19Å; T115-R118 PolarHBondContact O-N 2.91Å; T115-R119 PolarHBondContact O-N 2.88Å; T115-R119 VanDerWaalsContact O-N 3.12Å
116	S	96.6	Very high	97.8	Very high	17 Å²	17	73.9 Å²	73.9	12%	0.119	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.1	-171.8	-52.3	0	0	0	0	113.9	E112	E112-S116 PolarHBondContact O-N 3.31Å; E112-S116 WeakPolarHBondContact OE2-CB 3.45Å; E112-S116 PolarHBondContact OE2-OG 2.93Å
117	L	96.7	Very high	97.7	Very high	91 Å²	91	70.9 Å²	70.9	48%	0.476	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.9	-177.7	-62.4	-179.9	0	0	0	113.5	Y108 E112 V113 T115	Y108-L117 HydrophobicContact CD1-CD1 4.35Å; Y108-L117 HydrophobicContact CD2-CD1 4.39Å; Y108-L117 HydrophobicContact CE1-CD1 3.71Å; Y108-L117 HydrophobicContact CE2-CD1 3.76Å; Y108-L117 WeakPolarHBondContact OH-CD1 3.32Å; E112-L117 HydrophobicContact CB-CD1 4.19Å; E112-L117 HydrophobicContact CB-CG 4.17Å; E112-L117 WeakPolarHBondContact O-CB 3.39Å; E112-L117 PolarHBondContact O-N 2.91Å; V113-L117 HydrophobicContact CG2-CD1 3.89Å; T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 PolarHBondContact O-N 3.19Å
118	R	96.8	Very high	97.4	Very high	176 Å²	176	70.5 Å²	70.5	66%	0.664	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-7	174.1	-76.5	176.8	-172.2	-164.7	0.8	113.2	V113 T115 L120	V113-R118 VanDerWaalsContact O-CD 3.29Å; V113-R118 WeakPolarHBondContact O-CD 3.48Å; V113-R118 WeakPolarHBondContact O-CG 3.41Å; V113-R118 PolarHBondContact O-NE 3.29Å; T115-R118 PolarHBondContact O-N 2.91Å; R118-L120 PolarHBondContact O-N 3.22Å
119	R	97.9	Very high	97	Very high	76 Å²	76	72 Å²	72	29%	0.287	37%	0.374	S	S	.	.			trans	-63.3	125.2	177.9	-177.9	175.5	176.7	78.1	-11.8	109.7	T115 E121 Y149 W179	T115-R119 PolarHBondContact O-N 2.88Å; T115-R119 VanDerWaalsContact O-N 3.12Å; R119-E121 HydrophobicContact CG-CG 4.26Å; R119-E121 IonicContact CZ-OE1 2.82Å; R119-E121 IonicContact NE-OE1 2.95Å; R119-E121 IonicContact NH1-OE1 2.86Å; R119-E121 PolarHBondContact NH1-OE1 3.27Å; R119-E121 IonicContact NH2-OE1 3.53Å; R119-Y149 HydrophobicContact CB-CD1 3.81Å; R119-Y149 HydrophobicContact CB-CE1 3.82Å; R119-Y149 HydrophobicContact CG-CD1 3.62Å; R119-Y149 HydrophobicContact CG-CE1 4.07Å; R119-Y149 HydrophobicContact CG-CG 4.13Å; R119-Y149 WeakPolarHBondContact O-CD1 3.26Å; R119-W179 PolarHBondContact NE-O 3Å
120	L	98.3	Very high	96.2	Very high	94 Å²	94	70.6 Å²	70.6	49%	0.492	37%	0.373	S	S	.	.			trans	-136.8	115.8	175.6	-70.4	174.5	0	0	0	107.3	R118 Y149 P204	R118-L120 PolarHBondContact O-N 3.22Å; L120-Y149 WeakPolarHBondContact CA-O 3.48Å; L120-P204 HydrophobicContact CD2-CB 4.44Å
121	E	98.4	Very high	94.9	Very high	68 Å²	68	72.1 Å²	72.1	32%	0.318	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-117.5	126.7	175	-55.9	-60.5	156.6	0	0	108.3	R119 D147 F148 Y149 H203 S205	R119-E121 HydrophobicContact CG-CG 4.26Å; R119-E121 IonicContact CZ-OE1 2.82Å; R119-E121 IonicContact NE-OE1 2.95Å; R119-E121 IonicContact NH1-OE1 2.86Å; R119-E121 PolarHBondContact NH1-OE1 3.27Å; R119-E121 IonicContact NH2-OE1 3.53Å; E121-D147 WeakPolarHBondContact CB-O 3.34Å; E121-F148 WeakPolarHBondContact O-CA 3.35Å; E121-Y149 PolarHBondContact N-O 2.99Å; E121-Y149 PolarHBondContact O-N 3.09Å; E121-H203 PolarHBondContact O-CE1 2.85Å; E121-H203 VanDerWaalsContact O-CE1 3.29Å; E121-S205 PolarHBondContact O-OG 2.72Å
122	Q	98.4	Very high	92.9	Very high	134 Å²	134	71.5 Å²	71.5	63%	0.626	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-75.6	137.3	-177.4	-65.5	-178.3	17.6	0	0	111.3	S205 L206	Q122-S205 VanDerWaalsContact CA-OG 3.31Å; Q122-S205 WeakPolarHBondContact CA-OG 3.49Å; Q122-S205 WeakPolarHBondContact CG-OG 3.49Å; Q122-L206 HydrophobicContact CB-CD2 4.23Å; Q122-L206 HydrophobicContact CG-CD2 4.09Å
123	P	98.6	Very high	90.8	Very high	13 Å²	13	77.5 Å²	77.5	8%	0.084	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-66.5	138.3	177.7	25.2	-32.7	0	0	0	112	V125 V145 T146 F148 V201 H203 L206	P123-V125 HydrophobicContact CB-CG2 4.31Å; P123-V145 HydrophobicContact CB-CG1 3.55Å; P123-T146 WeakPolarHBondContact CA-O 3.17Å; P123-F148 HydrophobicContact CB-CB 3.84Å; P123-F148 HydrophobicContact CB-CD1 4.26Å; P123-F148 HydrophobicContact CB-CG 4.35Å; P123-V201 HydrophobicContact CB-CG1 4.48Å; P123-V201 HydrophobicContact CG-CG1 4.03Å; P123-H203 HydrophobicContact CG-CB 4.24Å; P123-L206 HydrophobicContact CG-CD1 3.89Å; P123-L206 HydrophobicContact CG-CD2 4.48Å; P123-L206 HydrophobicContact CG-CG 4.36Å
124	N	98.3	Very high	88.7	Confident	94 Å²	94	79.7 Å²	79.7	50%	0.503	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.3	159	-171.4	-26.9	0	0	0	108.7	V145 T146	N124-V145 CarbonylContact O-C 3.55Å; N124-V145 VanDerWaalsContact O-CA 3.31Å; N124-V145 WeakPolarHBondContact O-CA 3.47Å; N124-T146 PolarHBondContact N-O 2.64Å; N124-T146 PolarHBondContact O-N 2.87Å
125	V	98.5	Very high	86.5	Confident	18 Å²	18	81.9 Å²	81.9	11%	0.109	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.4	-175.8	-172.6	0	0	0	0	109.2	P123 S144 V145 V201 V210 V212	P123-V125 HydrophobicContact CB-CG2 4.31Å; V125-S144 WeakPolarHBondContact CA-O 3.43Å; V125-V145 HydrophobicContact CG1-CG2 4.45Å; V125-V145 HydrophobicContact CG2-CG1 4.33Å; V125-V201 HydrophobicContact CG1-CG2 3.89Å; V125-V201 HydrophobicContact CG2-CB 4.11Å; V125-V201 HydrophobicContact CG2-CG1 4.38Å; V125-V201 HydrophobicContact CG2-CG2 3.74Å; V125-V210 HydrophobicContact CB-CG1 4.1Å; V125-V210 HydrophobicContact CG2-CB 4.37Å; V125-V210 HydrophobicContact CG2-CG1 3.81Å; V125-V212 HydrophobicContact CB-CG2 3.78Å; V125-V212 HydrophobicContact CG1-CB 4.18Å; V125-V212 HydrophobicContact CG1-CG2 3.56Å
126	A	97.6	Very high	84.4	Confident	47 Å²	47	84.8 Å²	84.8	39%	0.388	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.4	176.5	0	0	0	0	0	110.7	C143 S144	A126-C143 WeakPolarHBondContact O-CA 3.16Å; A126-S144 PolarHBondContact N-O 2.84Å; A126-S144 PolarHBondContact O-N 3.27Å
127	I	95.9	Very high	82.4	Confident	30 Å²	30	91.6 Å²	91.6	15%	0.154	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.1	170.9	-60.7	173.6	0	0	0	108.9	L141 V142 W157 C199 V212 W214	I127-L141 HydrophobicContact CG2-CD2 4.13Å; I127-V142 WeakPolarHBondContact CA-O 3.42Å; I127-W157 HydrophobicContact CD1-CH2 3.79Å; I127-W157 HydrophobicContact CD1-CZ3 3.82Å; I127-W157 HydrophobicContact CG1-CH2 3.92Å; I127-W157 HydrophobicContact CG1-CZ3 4.46Å; I127-W157 HydrophobicContact CG2-CH2 3.86Å; I127-C199 HydrophobicContact CD1-CB 3.76Å; I127-C199 HydrophobicContact CG1-CB 3.99Å; I127-V212 HydrophobicContact CD1-CB 4.07Å; I127-V212 HydrophobicContact CD1-CG1 3.9Å; I127-V212 WeakPolarHBondContact CD1-O 3.45Å; I127-V212 HydrophobicContact CG1-CB 4.29Å; I127-V212 HydrophobicContact CG1-CG1 3.96Å; I127-W214 HydrophobicContact CB-CB 4.23Å; I127-W214 HydrophobicContact CD1-CB 3.98Å; I127-W214 HydrophobicContact CG2-CB 3.69Å; I127-W214 HydrophobicContact CG2-CG 3.88Å
128	S	92.4	Very high	80.5	Confident	56 Å²	56	90.9 Å²	90.9	39%	0.392	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.6	173.6	61.2	0	0	0	0	110.9	V142	S128-V142 PolarHBondContact N-O 3.06Å; S128-V142 PolarHBondContact O-N 3.46Å
129	L	89.4	Confident	79.6	Confident	78 Å²	78	84.1 Å²	84.1	41%	0.408	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.7	171.9	-176.7	70.7	0	0	0	108.2	N139 L141 W214	L129-N139 HydrophobicContact CD1-CB 4.09Å; L129-L141 HydrophobicContact CB-CD2 4.45Å; L129-L141 HydrophobicContact CD1-CD2 3.83Å; L129-W214 HydrophobicContact CD1-CZ2 4.32Å; L129-W214 HydrophobicContact CD2-CZ2 4.37Å
130	S	81.6	Confident	79.1	Confident	48 Å²	48	82.2 Å²	82.2	34%	0.336	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.1	171.5	-172.8	0	0	0	0	109.5	L140	S130-L140 PolarHBondContact N-O 3.2Å; S130-L140 PolarHBondContact O-N 2.87Å
131	R	70.4	Confident	78.9	Confident	153 Å²	153	77.7 Å²	77.7	58%	0.577	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.1	177	-164.2	-175.2	-70.2	-176.9	-6	107.4	E133 E219	R131-E133 PolarHBondContact O-N 3Å; R131-E219 IonicContact NH2-OE1 2.65Å
132	T	56.8	Low	78.8	Confident	47 Å²	47	75.2 Å²	75.2	29%	0.288	40%	0.402	S	S	.	.			trans	-92	99.4	180	-39.9	0	0	0	0	109.1	A134 L135	T132-A134 HydrophobicContact CG2-CB 4.49Å; T132-A134 PolarHBondContact O-N 3.14Å; T132-A134 VanDerWaalsContact O-N 3.15Å; T132-L135 HydrophobicContact CG2-CB 4.33Å; T132-L135 HydrophobicContact CG2-CD1 4.13Å; T132-L135 PolarHBondContact O-N 2.93Å
133	E	52.8	Low	78.8	Confident	190 Å²	190	68.8 Å²	68.8	89%	0.888	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	179.3	-69.8	-176	162.3	0	0	113	R131	R131-E133 PolarHBondContact O-N 3Å
134	A	53.1	Low	78.7	Confident	96 Å²	96	69.6 Å²	69.6	79%	0.793	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.9	-179.6	0	0	0	0	0	114.9	T132	T132-A134 HydrophobicContact CG2-CB 4.49Å; T132-A134 PolarHBondContact O-N 3.14Å; T132-A134 VanDerWaalsContact O-N 3.15Å
135	L	51.7	Low	78.8	Confident	113 Å²	113	65.1 Å²	65.1	59%	0.592	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	75.3	-176	-82.8	155.8	0	0	0	109.3	T132 H137 H138	T132-L135 HydrophobicContact CG2-CB 4.33Å; T132-L135 HydrophobicContact CG2-CD1 4.13Å; T132-L135 PolarHBondContact O-N 2.93Å; L135-H137 PolarHBondContact O-N 3.17Å; L135-H138 PolarHBondContact O-CD2 3.17Å; L135-H138 PolarHBondContact O-N 3.29Å; L135-H138 VanDerWaalsContact O-N 3.09Å
136	N	51.4	Low	78.8	Confident	142 Å²	142	65.7 Å²	65.7	76%	0.759	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	32.4	48.1	163.2	-75.9	-17.1	0	0	0	116.8	H138	N136-H138 VanDerWaalsContact C-N 3.26Å; N136-H138 PolarHBondContact O-N 3.1Å
137	H	54.7	Low	78.8	Confident	160 Å²	160	66.9 Å²	66.9	74%	0.741	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	26.9	173.7	-53.3	74.4	0	0	0	115.8	L135 N139	L135-H137 PolarHBondContact O-N 3.17Å; H137-N139 PolarHBondContact O-N 2.73Å
138	H	57	Low	78.9	Confident	76 Å²	76	65.4 Å²	65.4	35%	0.352	35%	0.35	S	S	.	.			trans	-68.1	121.2	168.6	-66.6	-85.8	0	0	0	108.8	L135 N136 L140 E188	L135-H138 PolarHBondContact O-CD2 3.17Å; L135-H138 PolarHBondContact O-N 3.29Å; L135-H138 VanDerWaalsContact O-N 3.09Å; N136-H138 VanDerWaalsContact C-N 3.26Å; N136-H138 PolarHBondContact O-N 3.1Å; H138-L140 PolarHBondContact O-N 3.34Å; H138-E188 HydrophobicContact CB-CG 4.11Å; H138-E188 IonicContact CE1-OE1 3.94Å; H138-E188 PolarHBondContact CE1-OE1 2.91Å; H138-E188 IonicContact CG-OE1 3.43Å; H138-E188 IonicContact ND1-OE1 3.59Å; H138-E188 PolarHBondContact ND1-OE1 2.63Å
139	N	77.6	Confident	79.2	Confident	33 Å²	33	64.7 Å²	64.7	18%	0.176	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.9	174.6	-74.4	-55.1	0	0	0	107.3	L129 H137 M189 P191	L129-N139 HydrophobicContact CD1-CB 4.09Å; H137-N139 PolarHBondContact O-N 2.73Å; N139-M189 HydrophobicContact CB-SD 4.03Å; N139-M189 PolarHBondContact N-O 3.38Å; N139-M189 WeakPolarHBondContact O-CG 3.47Å; N139-M189 PolarHBondContact O-N 3.48Å; N139-M189 VanDerWaalsContact O-O 3.08Å; N139-P191 HydrophobicContact CB-CG 4.44Å; N139-P191 WeakPolarHBondContact ND2-CD 3.46Å
140	L	88.9	Confident	79.7	Confident	36 Å²	36	62.7 Å²	62.7	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118	-179.9	-164.6	75.3	0	0	0	108.6	S130 H138 V142 M186 E188	S130-L140 PolarHBondContact N-O 3.2Å; S130-L140 PolarHBondContact O-N 2.87Å; H138-L140 PolarHBondContact O-N 3.34Å; L140-V142 HydrophobicContact CD2-CG2 4.07Å; L140-V142 HydrophobicContact CG-CG2 4.29Å; L140-M186 HydrophobicContact CD1-CB 3.95Å; L140-M186 HydrophobicContact CD2-CB 3.95Å; L140-M186 HydrophobicContact CD2-CG 4Å; L140-M186 HydrophobicContact CD2-SD 3.9Å; L140-M186 HydrophobicContact CG-CB 3.99Å; L140-M186 HydrophobicContact CG-CG 4.49Å; L140-E188 HydrophobicContact CD1-CB 4.38Å
141	L	93.2	Very high	80.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.9	165.4	-71.7	-179.9	0	0	0	108.8	I127 L129 W157 M186 L187 M189 Y197 W214	I127-L141 HydrophobicContact CG2-CD2 4.13Å; L129-L141 HydrophobicContact CB-CD2 4.45Å; L129-L141 HydrophobicContact CD1-CD2 3.83Å; L141-W157 HydrophobicContact CB-CH2 3.79Å; L141-W157 HydrophobicContact CB-CZ2 3.96Å; L141-W157 HydrophobicContact CD1-CH2 4.28Å; L141-W157 HydrophobicContact CD1-CZ3 4.28Å; L141-M186 CarbonylContact O-C 3.56Å; L141-M186 VanDerWaalsContact O-CA 3.24Å; L141-M186 WeakPolarHBondContact O-CA 3.45Å; L141-L187 HydrophobicContact CB-CB 4.49Å; L141-L187 PolarHBondContact N-O 2.82Å; L141-L187 PolarHBondContact O-N 3.29Å; L141-M189 HydrophobicContact CD1-CE 3.6Å; L141-M189 HydrophobicContact CD1-CG 4.26Å; L141-M189 HydrophobicContact CG-CE 3.97Å; L141-M189 HydrophobicContact CG-CG 4.1Å; L141-Y197 HydrophobicContact CD1-CD1 3.87Å; L141-Y197 HydrophobicContact CD1-CD2 4.07Å; L141-Y197 HydrophobicContact CD1-CG 3.57Å; L141-W214 HydrophobicContact CD1-CD2 4.17Å; L141-W214 HydrophobicContact CD1-CE3 3.75Å; L141-W214 HydrophobicContact CD1-CZ3 4.2Å; L141-W214 HydrophobicContact CD2-CD2 3.57Å; L141-W214 HydrophobicContact CD2-CE3 3.84Å; L141-W214 HydrophobicContact CD2-CG 4Å; L141-W214 HydrophobicContact CD2-CH2 4.21Å; L141-W214 HydrophobicContact CD2-CZ2 3.99Å; L141-W214 HydrophobicContact CD2-CZ3 4.16Å; L141-W214 HydrophobicContact CG-CE3 4.41Å
142	V	96.1	Very high	81.7	Confident	15 Å²	15	62.3 Å²	62.3	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.8	178.8	-172.7	0	0	0	0	108	I127 S128 L140 L184 M186	I127-V142 WeakPolarHBondContact CA-O 3.42Å; S128-V142 PolarHBondContact N-O 3.06Å; S128-V142 PolarHBondContact O-N 3.46Å; L140-V142 HydrophobicContact CD2-CG2 4.07Å; L140-V142 HydrophobicContact CG-CG2 4.29Å; V142-L184 HydrophobicContact CG1-CB 4.3Å; V142-L184 HydrophobicContact CG1-CD2 4.44Å; V142-M186 HydrophobicContact CG1-CG 4.12Å; V142-M186 HydrophobicContact CG2-CG 4.12Å
143	C	97.9	Very high	83.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	105.5	166.6	-175.5	0	0	0	0	108.1	A126 W157 V185 C199	A126-C143 WeakPolarHBondContact O-CA 3.16Å; C143-W157 HydrophobicContact CB-CH2 4.1Å; C143-W157 HydrophobicContact CB-CZ2 3.48Å; C143-W157 VanDerWaalsContact CB-CZ2 3.48Å; C143-V185 PolarHBondContact N-O 2.91Å; C143-V185 PolarHBondContact O-N 3.3Å; C143-C199 HydrophobicContact CB-CB 3.66Å; C143-C199 WeakPolarHBondContact CB-SG 3.41Å; C143-C199 WeakPolarHBondContact SG-CB 3.36Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.03Å
144	S	98.3	Very high	85.9	Confident	29 Å²	29	58 Å²	58	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.5	174.6	-59.4	0	0	0	0	108.5	V125 A126	V125-S144 WeakPolarHBondContact CA-O 3.43Å; A126-S144 PolarHBondContact N-O 2.84Å; A126-S144 PolarHBondContact O-N 3.27Å
145	V	98.7	Very high	88	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.7	176.7	-171.2	0	0	0	0	107.6	P123 N124 V125 F148 I153 V155 Q182 I183 V201	P123-V145 HydrophobicContact CB-CG1 3.55Å; N124-V145 CarbonylContact O-C 3.55Å; N124-V145 VanDerWaalsContact O-CA 3.31Å; N124-V145 WeakPolarHBondContact O-CA 3.47Å; V125-V145 HydrophobicContact CG1-CG2 4.45Å; V125-V145 HydrophobicContact CG2-CG1 4.33Å; V145-F148 HydrophobicContact CB-CE1 4.44Å; V145-F148 HydrophobicContact CG1-CD1 3.96Å; V145-F148 HydrophobicContact CG1-CE1 4Å; V145-F148 WeakPolarHBondContact O-CE1 3.43Å; V145-I153 HydrophobicContact CG1-CD1 3.54Å; V145-V155 HydrophobicContact CG2-CG1 4.23Å; V145-V155 HydrophobicContact CG2-CG2 3.98Å; V145-Q182 CarbonylContact O-C 3.56Å; V145-Q182 VanDerWaalsContact O-CA 3.22Å; V145-Q182 WeakPolarHBondContact O-CA 3.39Å; V145-I183 HydrophobicContact CB-CG2 3.91Å; V145-I183 HydrophobicContact CG2-CG2 4.49Å; V145-I183 PolarHBondContact N-O 3.12Å; V145-I183 PolarHBondContact O-N 3.19Å; V145-V201 HydrophobicContact CG1-CG1 4.03Å; V145-V201 HydrophobicContact CG1-CG2 4.44Å; V145-V201 HydrophobicContact CG2-CG2 3.8Å
146	T	98.6	Very high	90.3	Very high	30 Å²	30	51.8 Å²	51.8	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	166.6	-169.6	64.7	0	0	0	0	112.3	P123 N124 F148 Q182	P123-T146 WeakPolarHBondContact CA-O 3.17Å; N124-T146 PolarHBondContact N-O 2.64Å; N124-T146 PolarHBondContact O-N 2.87Å; T146-F148 VanDerWaalsContact C-N 3.26Å; T146-F148 PolarHBondContact O-N 3.3Å; T146-Q182 HydrophobicContact CG2-CB 4.02Å
147	D	98.4	Very high	92.5	Very high	72 Å²	72	45.1 Å²	45.1	39%	0.385	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63	25.1	166.1	-45.7	-49.2	0	0	0	115.2	E121 F181	E121-D147 WeakPolarHBondContact CB-O 3.34Å; D147-F181 PolarHBondContact N-O 2.83Å; D147-F181 VanDerWaalsContact N-O 3.08Å
148	F	98.7	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	155.9	-177.1	65.9	-90.9	0	0	0	113.7	E121 P123 V145 T146 P150 I153 L173 F181 I183 H203	E121-F148 WeakPolarHBondContact O-CA 3.35Å; P123-F148 HydrophobicContact CB-CB 3.84Å; P123-F148 HydrophobicContact CB-CD1 4.26Å; P123-F148 HydrophobicContact CB-CG 4.35Å; V145-F148 HydrophobicContact CB-CE1 4.44Å; V145-F148 HydrophobicContact CG1-CD1 3.96Å; V145-F148 HydrophobicContact CG1-CE1 4Å; V145-F148 WeakPolarHBondContact O-CE1 3.43Å; T146-F148 VanDerWaalsContact C-N 3.26Å; T146-F148 PolarHBondContact O-N 3.3Å; F148-P150 WeakPolarHBondContact CD2-O 3.19Å; F148-I153 HydrophobicContact CD1-CD1 3.86Å; F148-I153 HydrophobicContact CD2-CB 4.45Å; F148-I153 HydrophobicContact CD2-CD1 3.86Å; F148-I153 HydrophobicContact CE1-CD1 3.67Å; F148-I153 HydrophobicContact CE2-CB 3.85Å; F148-I153 HydrophobicContact CE2-CD1 3.69Å; F148-I153 HydrophobicContact CE2-CG1 4.38Å; F148-I153 HydrophobicContact CE2-CG2 3.82Å; F148-I153 HydrophobicContact CG-CD1 3.95Å; F148-I153 HydrophobicContact CZ-CB 4.2Å; F148-I153 HydrophobicContact CZ-CD1 3.59Å; F148-I153 HydrophobicContact CZ-CG2 3.79Å; F148-L173 HydrophobicContact CE2-CD1 3.94Å; F148-L173 HydrophobicContact CZ-CD1 3.59Å; F148-F181 VanDerWaalsContact CD1-O 3.28Å; F148-F181 WeakPolarHBondContact CD1-O 3.48Å; F148-F181 HydrophobicContact CD2-CB 4.12Å; F148-F181 HydrophobicContact CE1-CB 4.27Å; F148-F181 WeakPolarHBondContact CE1-O 3.47Å; F148-F181 HydrophobicContact CE2-CB 3.69Å; F148-F181 HydrophobicContact CZ-CB 3.77Å; F148-F181 PolarHBondContact N-O 2.8Å; F148-F181 PolarHBondContact O-N 2.88Å; F148-I183 HydrophobicContact CE1-CG2 4.04Å; F148-I183 HydrophobicContact CZ-CG2 4.04Å; F148-H203 AromaticContact CD2-CD2 3.86Å; F148-H203 AromaticContact CD2-NE2 3.66Å
149	Y	98.6	Very high	96.3	Very high	40 Å²	40	39 Å²	39	16%	0.157	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-155.3	136.9	172.1	-172.4	-80.6	0	0	0	109.4	R119 L120 E121 W179 F181 H203	R119-Y149 HydrophobicContact CB-CD1 3.81Å; R119-Y149 HydrophobicContact CB-CE1 3.82Å; R119-Y149 HydrophobicContact CG-CD1 3.62Å; R119-Y149 HydrophobicContact CG-CE1 4.07Å; R119-Y149 HydrophobicContact CG-CG 4.13Å; R119-Y149 WeakPolarHBondContact O-CD1 3.26Å; L120-Y149 WeakPolarHBondContact CA-O 3.48Å; E121-Y149 PolarHBondContact N-O 2.99Å; E121-Y149 PolarHBondContact O-N 3.09Å; Y149-W179 WeakPolarHBondContact CD2-O 3.23Å; Y149-W179 HydrophobicContact CE2-CE3 4.37Å; Y149-F181 HydrophobicContact CD2-CD2 4.04Å; Y149-F181 AromaticContact CD2-CE2 3.56Å; Y149-F181 HydrophobicContact CD2-CE2 3.56Å; Y149-F181 AromaticContact CE2-CE2 3.83Å; Y149-F181 HydrophobicContact CE2-CE2 3.83Å; Y149-H203 VanDerWaalsContact C-CE1 3.48Å; Y149-H203 PolarHBondContact O-CE1 3.38Å
150	P	98.4	Very high	97	Very high	37 Å²	37	42 Å²	42	24%	0.24	21%	0.213	C	C	.	.	S	Bend	cis	-80.9	-174.9	9.5	34.5	-39.1	0	0	0	114.3	F148 Q152 H203 P204	F148-P150 WeakPolarHBondContact CD2-O 3.19Å; P150-Q152 PolarHBondContact O-N 3.28Å; P150-H203 PolarHBondContact O-NE2 3.17Å; P150-H203 VanDerWaalsContact O-NE2 3.1Å; P150-P204 HydrophobicContact CG-CG 4.39Å
151	A	98.1	Very high	97.1	Very high	43 Å²	43	43.1 Å²	43.1	36%	0.355	23%	0.233	S	C	.	.	S	Bend	trans	-62.5	-25.7	-178.1	0	0	0	0	0	114.9	I153 L173 F181	A151-I153 PolarHBondContact O-N 2.75Å; A151-L173 HydrophobicContact CB-CD2 3.43Å; A151-L173 VanDerWaalsContact CB-CD2 3.43Å; A151-F181 HydrophobicContact CB-CD2 4.24Å; A151-F181 HydrophobicContact CB-CE1 4.28Å; A151-F181 HydrophobicContact CB-CE2 3.83Å; A151-F181 HydrophobicContact CB-CZ 3.85Å
152	Q	97.5	Very high	97.2	Very high	150 Å²	150	50.6 Å²	50.6	70%	0.701	27%	0.268	S	S	*	.			trans	-71.2	116.3	-176.1	-179.1	-178.4	2.9	0	0	110.3	P150 H203 P204	P150-Q152 PolarHBondContact O-N 3.28Å; Q152-H203 PolarHBondContact O-CD2 3.34Å; Q152-P204 VanDerWaalsContact O-CD 3.27Å; Q152-P204 WeakPolarHBondContact O-CD 3.42Å
153	I	98.4	Very high	97.2	Very high	37 Å²	37	54.6 Å²	54.6	19%	0.19	29%	0.286	C	S	.	.			trans	-146.5	150.9	179.6	-165.4	162.8	0	0	0	110.7	V145 F148 A151 V155 I183 V201 H203	V145-I153 HydrophobicContact CG1-CD1 3.54Å; F148-I153 HydrophobicContact CD1-CD1 3.86Å; F148-I153 HydrophobicContact CD2-CB 4.45Å; F148-I153 HydrophobicContact CD2-CD1 3.86Å; F148-I153 HydrophobicContact CE1-CD1 3.67Å; F148-I153 HydrophobicContact CE2-CB 3.85Å; F148-I153 HydrophobicContact CE2-CD1 3.69Å; F148-I153 HydrophobicContact CE2-CG1 4.38Å; F148-I153 HydrophobicContact CE2-CG2 3.82Å; F148-I153 HydrophobicContact CG-CD1 3.95Å; F148-I153 HydrophobicContact CZ-CB 4.2Å; F148-I153 HydrophobicContact CZ-CD1 3.59Å; F148-I153 HydrophobicContact CZ-CG2 3.79Å; A151-I153 PolarHBondContact O-N 2.75Å; I153-V155 HydrophobicContact CD1-CG2 4.23Å; I153-V155 HydrophobicContact CG1-CG2 4.07Å; I153-I183 HydrophobicContact CG2-CG2 4.26Å; I153-V201 HydrophobicContact CD1-CG1 3.93Å; I153-V201 HydrophobicContact CG1-CG1 4.17Å; I153-H203 HydrophobicContact CG1-CB 4.3Å
154	K	98.3	Very high	97.1	Very high	110 Å²	110	56.8 Å²	56.8	48%	0.478	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.9	172.5	-178.3	178.9	-178.4	-179.2	0	109.8	R156 D202	K154-R156 HydrophobicContact CG-CG 4.48Å; K154-D202 HydrophobicContact CB-CB 4.27Å; K154-D202 PolarHBondContact N-O 2.7Å; K154-D202 PolarHBondContact O-N 3.34Å
155	V	98.6	Very high	97	Very high	26 Å²	26	60.5 Å²	60.5	16%	0.158	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.3	-179.2	-176.5	0	0	0	0	108.7	V145 I153 I183 V185 H200 V201	V145-V155 HydrophobicContact CG2-CG1 4.23Å; V145-V155 HydrophobicContact CG2-CG2 3.98Å; I153-V155 HydrophobicContact CD1-CG2 4.23Å; I153-V155 HydrophobicContact CG1-CG2 4.07Å; V155-I183 HydrophobicContact CG2-CG2 4.09Å; V155-V185 HydrophobicContact CB-CG2 3.72Å; V155-V185 HydrophobicContact CG1-CB 3.84Å; V155-V185 HydrophobicContact CG1-CG1 4.35Å; V155-V185 HydrophobicContact CG1-CG2 3.54Å; V155-V185 HydrophobicContact CG2-CG2 4.33Å; V155-H200 WeakPolarHBondContact CA-O 3.43Å; V155-V201 HydrophobicContact CG1-CG2 4.23Å; V155-V201 HydrophobicContact CG2-CG1 4.41Å; V155-V201 HydrophobicContact CG2-CG2 4.27Å
156	R	98.3	Very high	96.8	Very high	52 Å²	52	63.7 Å²	63.7	20%	0.196	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.5	-177.8	-68.1	-179.2	-72.8	162.9	4.3	111	K154 F158 E163 H200	K154-R156 HydrophobicContact CG-CG 4.48Å; R156-F158 HydrophobicContact CB-CD2 4.43Å; R156-F158 HydrophobicContact CB-CE2 3.87Å; R156-E163 VanDerWaalsContact CD-CD 3.46Å; R156-E163 WeakPolarHBondContact CD-OE1 3.32Å; R156-E163 WeakPolarHBondContact CD-OE2 3.16Å; R156-E163 IonicContact CZ-OE2 3.43Å; R156-E163 IonicContact NH1-OE2 3.07Å; R156-E163 PolarHBondContact NH1-OE2 2.88Å; R156-H200 HydrophobicContact CB-CB 4.46Å; R156-H200 PolarHBondContact N-O 3.29Å; R156-H200 PolarHBondContact NH2-CE1 2.81Å; R156-H200 PolarHBondContact NH2-ND1 2.69Å; R156-H200 PolarHBondContact NH2-NE2 2.91Å; R156-H200 PolarHBondContact O-N 3.37Å
157	W	98.1	Very high	96.4	Very high	1 Å²	1	64 Å²	64	0%	0.004	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.6	169.9	-82.2	107.2	0	0	0	110.5	I127 L141 C143 E163 E164 V168 V185 L187 I198 C199	I127-W157 HydrophobicContact CD1-CH2 3.79Å; I127-W157 HydrophobicContact CD1-CZ3 3.82Å; I127-W157 HydrophobicContact CG1-CH2 3.92Å; I127-W157 HydrophobicContact CG1-CZ3 4.46Å; I127-W157 HydrophobicContact CG2-CH2 3.86Å; L141-W157 HydrophobicContact CB-CH2 3.79Å; L141-W157 HydrophobicContact CB-CZ2 3.96Å; L141-W157 HydrophobicContact CD1-CH2 4.28Å; L141-W157 HydrophobicContact CD1-CZ3 4.28Å; C143-W157 HydrophobicContact CB-CH2 4.1Å; C143-W157 HydrophobicContact CB-CZ2 3.48Å; C143-W157 VanDerWaalsContact CB-CZ2 3.48Å; W157-E163 WeakPolarHBondContact O-CA 3.1Å; W157-E164 HydrophobicContact CB-CB 4.3Å; W157-E164 PolarHBondContact O-N 2.65Å; W157-V168 HydrophobicContact CB-CG2 4.25Å; W157-V168 HydrophobicContact CG-CG2 4.47Å; W157-V185 PolarHBondContact NE1-O 3.34Å; W157-L187 HydrophobicContact CB-CD2 4.26Å; W157-L187 HydrophobicContact CD2-CB 4.06Å; W157-L187 HydrophobicContact CD2-CD2 4.08Å; W157-L187 HydrophobicContact CE3-CD2 4.21Å; W157-L187 HydrophobicContact CG-CB 4.02Å; W157-L187 HydrophobicContact CG-CD2 4.12Å; W157-L187 HydrophobicContact CZ2-CB 4.45Å; W157-I198 CarbonylContact C-O 3.55Å; W157-I198 WeakPolarHBondContact CA-O 3.49Å; W157-C199 HydrophobicContact CE3-CB 4.38Å; W157-C199 HydrophobicContact CH2-CB 4.21Å; W157-C199 HydrophobicContact CZ3-CB 4.12Å
158	F	97.3	Very high	96.3	Very high	36 Å²	36	62.8 Å²	62.8	16%	0.158	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.7	168.9	-70.2	-106.6	0	0	0	109.4	R156 Q162 E163 Y197 I198 H200	R156-F158 HydrophobicContact CB-CD2 4.43Å; R156-F158 HydrophobicContact CB-CE2 3.87Å; F158-Q162 CarbonylContact C-O 3.54Å; F158-Q162 WeakPolarHBondContact CA-O 3.36Å; F158-E163 HydrophobicContact CD1-CB 4.12Å; F158-E163 HydrophobicContact CE1-CB 3.76Å; F158-E163 HydrophobicContact CE1-CG 4.43Å; F158-E163 HydrophobicContact CE2-CG 4.48Å; F158-E163 HydrophobicContact CZ-CB 4.02Å; F158-E163 HydrophobicContact CZ-CG 4.21Å; F158-Y197 CarbonylContact O-C 3.58Å; F158-Y197 WeakPolarHBondContact O-CA 3.5Å; F158-I198 HydrophobicContact CB-CB 4.18Å; F158-I198 PolarHBondContact N-O 3.02Å; F158-I198 PolarHBondContact O-N 2.85Å; F158-H200 HydrophobicContact CD2-CB 3.88Å; F158-H200 HydrophobicContact CE2-CB 3.7Å
159	R	94.6	Very high	96.2	Very high	73 Å²	73	66.9 Å²	66.9	28%	0.275	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.5	173	-178.3	-178.5	179.4	179.9	2.8	108.4	G161 Q162 E164 E195 Y197	R159-G161 PolarHBondContact O-N 3.31Å; R159-G161 VanDerWaalsContact O-N 3.08Å; R159-Q162 PolarHBondContact N-O 2.9Å; R159-Q162 PolarHBondContact O-N 2.85Å; R159-E164 HydrophobicContact CB-CB 4.42Å; R159-E195 IonicContact CZ-OE1 3.41Å; R159-E195 IonicContact NE-OE1 3.59Å; R159-E195 PolarHBondContact NE-OE1 2.93Å; R159-E195 IonicContact NE-OE2 2.69Å; R159-E195 IonicContact NH2-OE1 3.66Å; R159-E195 PolarHBondContact NH2-OE1 3.44Å; R159-E195 IonicContact NH2-OE2 3.16Å; R159-Y197 HydrophobicContact CB-CD1 4.32Å; R159-Y197 HydrophobicContact CB-CE1 4.25Å; R159-Y197 HydrophobicContact CG-CD1 4.25Å; R159-Y197 HydrophobicContact CG-CE1 3.82Å; R159-Y197 PolarHBondContact NE-OH 2.68Å
160	N	91.6	Very high	96.1	Very high	95 Å²	95	68.5 Å²	68.5	51%	0.508	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	36.2	-178.8	-57.6	-32.2	0	0	0	113.6	V196	N160-V196 PolarHBondContact N-O 2.98Å; N160-V196 PolarHBondContact OD1-N 2.72Å
161	G	90.9	Very high	96	Very high	59 Å²	59	68.7 Å²	68.7	61%	0.608	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-4.1	178.9	0	0	0	0	0	116	R159	R159-G161 PolarHBondContact O-N 3.31Å; R159-G161 VanDerWaalsContact O-N 3.08Å
162	Q	95.6	Very high	96	Very high	158 Å²	158	75 Å²	75	74%	0.738	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.8	174.4	-65.9	-171.7	-24.1	0	0	111	F158 R159 E164	F158-Q162 CarbonylContact C-O 3.54Å; F158-Q162 WeakPolarHBondContact CA-O 3.36Å; R159-Q162 PolarHBondContact N-O 2.9Å; R159-Q162 PolarHBondContact O-N 2.85Å; Q162-E164 PolarHBondContact O-N 3.41Å
163	E	97.3	Very high	96	Very high	98 Å²	98	71.2 Å²	71.2	46%	0.458	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	125	177.6	-171.7	166.7	159.9	0	0	109.6	R156 W157 F158 T165	R156-E163 VanDerWaalsContact CD-CD 3.46Å; R156-E163 WeakPolarHBondContact CD-OE1 3.32Å; R156-E163 WeakPolarHBondContact CD-OE2 3.16Å; R156-E163 IonicContact CZ-OE2 3.43Å; R156-E163 IonicContact NH1-OE2 3.07Å; R156-E163 PolarHBondContact NH1-OE2 2.88Å; W157-E163 WeakPolarHBondContact O-CA 3.1Å; F158-E163 HydrophobicContact CD1-CB 4.12Å; F158-E163 HydrophobicContact CE1-CB 3.76Å; F158-E163 HydrophobicContact CE1-CG 4.43Å; F158-E163 HydrophobicContact CE2-CG 4.48Å; F158-E163 HydrophobicContact CZ-CB 4.02Å; F158-E163 HydrophobicContact CZ-CG 4.21Å; E163-T165 HydrophobicContact CG-CG2 4.46Å
164	E	95.6	Very high	96	Very high	47 Å²	47	72.4 Å²	72.4	22%	0.22	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.3	179.7	-175.6	60.8	-89.4	0	0	109	W157 R159 Q162 A166 V168 L187	W157-E164 HydrophobicContact CB-CB 4.3Å; W157-E164 PolarHBondContact O-N 2.65Å; R159-E164 HydrophobicContact CB-CB 4.42Å; Q162-E164 PolarHBondContact O-N 3.41Å; E164-A166 WeakPolarHBondContact OE1-CB 3.2Å; E164-A166 PolarHBondContact OE1-N 3.19Å; E164-A166 VanDerWaalsContact OE1-N 3.08Å; E164-V168 WeakPolarHBondContact O-CG2 3.43Å; E164-L187 HydrophobicContact CG-CD1 3.65Å; E164-L187 HydrophobicContact CG-CD2 4.33Å
165	T	96.1	Very high	96	Very high	107 Å²	107	75.8 Å²	75.8	66%	0.656	41%	0.413	S	S	*	.			trans	-127.6	-20.6	-179.9	57.2	0	0	0	0	111.8	E163 V168	E163-T165 HydrophobicContact CG-CG2 4.46Å; T165-V168 PolarHBondContact O-N 2.91Å
166	A	93.8	Very high	95.9	Very high	66 Å²	66	77.3 Å²	77.3	55%	0.545	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	132.7	175.5	0	0	0	0	0	109.5	E164 V168 L187	E164-A166 WeakPolarHBondContact OE1-CB 3.2Å; E164-A166 PolarHBondContact OE1-N 3.19Å; E164-A166 VanDerWaalsContact OE1-N 3.08Å; A166-V168 PolarHBondContact O-N 2.91Å; A166-L187 WeakPolarHBondContact O-CD1 3.29Å
167	G	91.2	Very high	95.9	Very high	36 Å²	36	78 Å²	78	37%	0.371	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	10.5	-179	0	0	0	0	0	114.6	E188	G167-E188 PolarHBondContact O-N 3.26Å
168	V	96.3	Very high	95.8	Very high	47 Å²	47	82.3 Å²	82.3	29%	0.285	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.4	174.3	179.5	0	0	0	0	110.3	W157 E164 T165 A166 V185 M186 L187	W157-V168 HydrophobicContact CB-CG2 4.25Å; W157-V168 HydrophobicContact CG-CG2 4.47Å; E164-V168 WeakPolarHBondContact O-CG2 3.43Å; T165-V168 PolarHBondContact O-N 2.91Å; A166-V168 PolarHBondContact O-N 2.91Å; V168-V185 HydrophobicContact CG1-CG1 3.66Å; V168-M186 CarbonylContact C-O 3.45Å; V168-M186 VanDerWaalsContact CA-O 3.28Å; V168-M186 WeakPolarHBondContact CA-O 3.47Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å
169	V	95.6	Very high	95.8	Very high	87 Å²	87	87.7 Å²	87.7	53%	0.527	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.3	176.9	-177.6	0	0	0	0	109.2	M186	V169-M186 HydrophobicContact CB-CE 4.26Å; V169-M186 HydrophobicContact CG1-CE 4.02Å; V169-M186 PolarHBondContact N-O 2.94Å; V169-M186 WeakPolarHBondContact O-CB 3.5Å; V169-M186 WeakPolarHBondContact O-CE 3.37Å; V169-M186 PolarHBondContact O-N 2.95Å
170	S	96.9	Very high	96	Very high	73 Å²	73	84.8 Å²	84.8	51%	0.51	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.9	176.1	63.4	0	0	0	0	111.8	L184	S170-L184 WeakPolarHBondContact CA-O 3.49Å
171	T	96.9	Very high	96.4	Very high	41 Å²	41	80.7 Å²	80.7	25%	0.252	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-67.2	164.4	164.3	63.3	0	0	0	0	110.6	L184 M186	T171-L184 HydrophobicContact CG2-CB 3.87Å; T171-L184 HydrophobicContact CG2-CD1 4.37Å; T171-L184 HydrophobicContact CG2-CG 4.35Å; T171-L184 PolarHBondContact N-O 3Å; T171-L184 PolarHBondContact OG1-N 2.68Å; T171-L184 VanDerWaalsContact OG1-N 3.13Å; T171-M186 HydrophobicContact CG2-CE 4.42Å
172	Q	97.3	Very high	96.7	Very high	177 Å²	177	80.5 Å²	80.5	83%	0.827	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-63.9	161.2	157.6	-66.3	-175	-7.1	0	0	109.6	I174	Q172-I174 PolarHBondContact O-N 2.95Å
173	L	97.7	Very high	96.9	Very high	70 Å²	70	74 Å²	74	37%	0.366	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.1	124.3	174.6	-171.1	71.7	0	0	0	109.7	F148 A151 F181	F148-L173 HydrophobicContact CE2-CD1 3.94Å; F148-L173 HydrophobicContact CZ-CD1 3.59Å; A151-L173 HydrophobicContact CB-CD2 3.43Å; A151-L173 VanDerWaalsContact CB-CD2 3.43Å; L173-F181 HydrophobicContact CD1-CB 3.85Å; L173-F181 HydrophobicContact CD1-CD1 4.3Å; L173-F181 HydrophobicContact CD1-CG 4.28Å; L173-F181 HydrophobicContact CD2-CB 4.48Å; L173-F181 HydrophobicContact CD2-CD1 3.52Å; L173-F181 HydrophobicContact CD2-CE1 3.82Å; L173-F181 HydrophobicContact CD2-CG 4.01Å; L173-F181 HydrophobicContact CG-CB 4.2Å; L173-F181 HydrophobicContact CG-CD1 3.71Å; L173-F181 HydrophobicContact CG-CE1 4.42Å; L173-F181 HydrophobicContact CG-CG 4.18Å
174	I	98.3	Very high	96.9	Very high	61 Å²	61	71.8 Å²	71.8	31%	0.313	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.2	-179.5	-60.3	164.2	0	0	0	108.1	Q172 F181 Q182	Q172-I174 PolarHBondContact O-N 2.95Å; I174-F181 VanDerWaalsContact O-CA 3.28Å; I174-F181 WeakPolarHBondContact O-CA 3.3Å; I174-Q182 HydrophobicContact CB-CG 3.56Å; I174-Q182 HydrophobicContact CD1-CG 4.05Å; I174-Q182 HydrophobicContact CG1-CG 4.36Å; I174-Q182 HydrophobicContact CG2-CG 3.79Å; I174-Q182 PolarHBondContact N-O 2.97Å; I174-Q182 PolarHBondContact O-N 2.68Å
175	R	98.1	Very high	97	Very high	182 Å²	182	69.8 Å²	69.8	69%	0.687	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.6	174.5	-176.3	-174.2	-62.8	-87.8	-0.1	109.1	F181	R175-F181 HydrophobicContact CB-CD1 4.26Å; R175-F181 HydrophobicContact CB-CE1 4.12Å; R175-F181 HydrophobicContact CG-CE1 4.15Å
176	N	97.6	Very high	97	Very high	57 Å²	57	66.7 Å²	66.7	31%	0.305	37%	0.368	S	S	.	.			trans	-76.9	-24.4	-174	-67.3	-20.1	0	0	0	113.4	D178 T180 Q182	N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.05Å; N176-T180 PolarHBondContact N-O 2.92Å; N176-T180 PolarHBondContact ND2-OG1 2.84Å; N176-Q182 VanDerWaalsContact OD1-CD 3.29Å; N176-Q182 WeakPolarHBondContact OD1-CG 3.41Å; N176-Q182 PolarHBondContact OD1-OE1 3.32Å
177	G	96.7	Very high	97	Very high	68 Å²	68	63.7 Å²	63.7	70%	0.701	34%	0.343	S	S	*	.	S	Bend	trans	94.1	-2.7	-178.4	0	0	0	0	0	114.2
178	D	97.4	Very high	97.1	Very high	91 Å²	91	66.6 Å²	66.6	49%	0.487	35%	0.346	S	S	.	.	S	Bend	trans	-112.3	24.3	179.2	65.9	-5.9	0	0	0	112.7	N176 T180	N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.05Å; D178-T180 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 3.23Å; D178-T180 WeakPolarHBondContact OD1-CB 3.42Å; D178-T180 PolarHBondContact OD1-N 2.88Å; D178-T180 PolarHBondContact OD1-OG1 3.15Å
179	W	97.4	Very high	96.6	Very high	148 Å²	148	64.8 Å²	64.8	56%	0.561	34%	0.335	S	S	*	.	S	Bend	trans	66.5	23.3	-174.4	-61.7	74.1	0	0	0	115.4	R119 Y149	R119-W179 PolarHBondContact NE-O 3Å; Y149-W179 WeakPolarHBondContact CD2-O 3.23Å; Y149-W179 HydrophobicContact CE2-CE3 4.37Å
180	T	98.4	Very high	96.1	Very high	12 Å²	12	65.5 Å²	65.5	7%	0.074	34%	0.34	C	S	.	.			trans	-122	164.8	168	71.5	0	0	0	0	111.9	N176 D178	N176-T180 PolarHBondContact N-O 2.92Å; N176-T180 PolarHBondContact ND2-OG1 2.84Å; D178-T180 VanDerWaalsContact C-N 3.29Å; D178-T180 PolarHBondContact O-N 3.23Å; D178-T180 WeakPolarHBondContact OD1-CB 3.42Å; D178-T180 PolarHBondContact OD1-N 2.88Å; D178-T180 PolarHBondContact OD1-OG1 3.15Å
181	F	98.7	Very high	95.2	Very high	9 Å²	9	64.3 Å²	64.3	4%	0.039	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	161.3	175	-61.9	-82.6	0	0	0	111.3	D147 F148 Y149 A151 L173 I174 R175	D147-F181 PolarHBondContact N-O 2.83Å; D147-F181 VanDerWaalsContact N-O 3.08Å; F148-F181 VanDerWaalsContact CD1-O 3.28Å; F148-F181 WeakPolarHBondContact CD1-O 3.48Å; F148-F181 HydrophobicContact CD2-CB 4.12Å; F148-F181 HydrophobicContact CE1-CB 4.27Å; F148-F181 WeakPolarHBondContact CE1-O 3.47Å; F148-F181 HydrophobicContact CE2-CB 3.69Å; F148-F181 HydrophobicContact CZ-CB 3.77Å; F148-F181 PolarHBondContact N-O 2.8Å; F148-F181 PolarHBondContact O-N 2.88Å; Y149-F181 HydrophobicContact CD2-CD2 4.04Å; Y149-F181 AromaticContact CD2-CE2 3.56Å; Y149-F181 HydrophobicContact CD2-CE2 3.56Å; Y149-F181 AromaticContact CE2-CE2 3.83Å; Y149-F181 HydrophobicContact CE2-CE2 3.83Å; A151-F181 HydrophobicContact CB-CD2 4.24Å; A151-F181 HydrophobicContact CB-CE1 4.28Å; A151-F181 HydrophobicContact CB-CE2 3.83Å; A151-F181 HydrophobicContact CB-CZ 3.85Å; L173-F181 HydrophobicContact CD1-CB 3.85Å; L173-F181 HydrophobicContact CD1-CD1 4.3Å; L173-F181 HydrophobicContact CD1-CG 4.28Å; L173-F181 HydrophobicContact CD2-CB 4.48Å; L173-F181 HydrophobicContact CD2-CD1 3.52Å; L173-F181 HydrophobicContact CD2-CE1 3.82Å; L173-F181 HydrophobicContact CD2-CG 4.01Å; L173-F181 HydrophobicContact CG-CB 4.2Å; L173-F181 HydrophobicContact CG-CD1 3.71Å; L173-F181 HydrophobicContact CG-CE1 4.42Å; L173-F181 HydrophobicContact CG-CG 4.18Å; I174-F181 VanDerWaalsContact O-CA 3.28Å; I174-F181 WeakPolarHBondContact O-CA 3.3Å; R175-F181 HydrophobicContact CB-CD1 4.26Å; R175-F181 HydrophobicContact CB-CE1 4.12Å; R175-F181 HydrophobicContact CG-CE1 4.15Å
182	Q	98.5	Very high	94.4	Very high	56 Å²	56	67.9 Å²	67.9	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.8	168.4	65.2	-175	32.8	0	0	111.3	V145 T146 I174 N176	V145-Q182 CarbonylContact O-C 3.56Å; V145-Q182 VanDerWaalsContact O-CA 3.22Å; V145-Q182 WeakPolarHBondContact O-CA 3.39Å; T146-Q182 HydrophobicContact CG2-CB 4.02Å; I174-Q182 HydrophobicContact CB-CG 3.56Å; I174-Q182 HydrophobicContact CD1-CG 4.05Å; I174-Q182 HydrophobicContact CG1-CG 4.36Å; I174-Q182 HydrophobicContact CG2-CG 3.79Å; I174-Q182 PolarHBondContact N-O 2.97Å; I174-Q182 PolarHBondContact O-N 2.68Å; N176-Q182 VanDerWaalsContact OD1-CD 3.29Å; N176-Q182 WeakPolarHBondContact OD1-CG 3.41Å; N176-Q182 PolarHBondContact OD1-OE1 3.32Å
183	I	98.6	Very high	93.6	Very high	22 Å²	22	70.1 Å²	70.1	11%	0.113	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.3	173.9	-170.5	170.6	0	0	0	109.3	V145 F148 I153 V155 V185	V145-I183 HydrophobicContact CB-CG2 3.91Å; V145-I183 HydrophobicContact CG2-CG2 4.49Å; V145-I183 PolarHBondContact N-O 3.12Å; V145-I183 PolarHBondContact O-N 3.19Å; F148-I183 HydrophobicContact CE1-CG2 4.04Å; F148-I183 HydrophobicContact CZ-CG2 4.04Å; I153-I183 HydrophobicContact CG2-CG2 4.26Å; V155-I183 HydrophobicContact CG2-CG2 4.09Å; I183-V185 HydrophobicContact CD1-CG2 4.45Å; I183-V185 HydrophobicContact CG1-CG2 4.3Å
184	L	98.1	Very high	92.9	Very high	51 Å²	51	69.7 Å²	69.7	27%	0.267	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.8	173.9	-52.9	178	0	0	0	108.3	V142 S170 T171	V142-L184 HydrophobicContact CG1-CB 4.3Å; V142-L184 HydrophobicContact CG1-CD2 4.44Å; S170-L184 WeakPolarHBondContact CA-O 3.49Å; T171-L184 HydrophobicContact CG2-CB 3.87Å; T171-L184 HydrophobicContact CG2-CD1 4.37Å; T171-L184 HydrophobicContact CG2-CG 4.35Å; T171-L184 PolarHBondContact N-O 3Å; T171-L184 PolarHBondContact OG1-N 2.68Å; T171-L184 VanDerWaalsContact OG1-N 3.13Å
185	V	97.9	Very high	92.5	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.03	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.2	175.1	-173.2	0	0	0	0	109.1	C143 V155 W157 V168 I183	C143-V185 PolarHBondContact N-O 2.91Å; C143-V185 PolarHBondContact O-N 3.3Å; V155-V185 HydrophobicContact CB-CG2 3.72Å; V155-V185 HydrophobicContact CG1-CB 3.84Å; V155-V185 HydrophobicContact CG1-CG1 4.35Å; V155-V185 HydrophobicContact CG1-CG2 3.54Å; V155-V185 HydrophobicContact CG2-CG2 4.33Å; W157-V185 PolarHBondContact NE1-O 3.34Å; V168-V185 HydrophobicContact CG1-CG1 3.66Å; I183-V185 HydrophobicContact CD1-CG2 4.45Å; I183-V185 HydrophobicContact CG1-CG2 4.3Å
186	M	95.9	Very high	92.2	Very high	42 Å²	42	59.8 Å²	59.8	21%	0.207	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.3	-171.9	-58.2	166.6	-75.5	0	0	109.7	L140 L141 V142 V168 V169 T171	L140-M186 HydrophobicContact CD1-CB 3.95Å; L140-M186 HydrophobicContact CD2-CB 3.95Å; L140-M186 HydrophobicContact CD2-CG 4Å; L140-M186 HydrophobicContact CD2-SD 3.9Å; L140-M186 HydrophobicContact CG-CB 3.99Å; L140-M186 HydrophobicContact CG-CG 4.49Å; L141-M186 CarbonylContact O-C 3.56Å; L141-M186 VanDerWaalsContact O-CA 3.24Å; L141-M186 WeakPolarHBondContact O-CA 3.45Å; V142-M186 HydrophobicContact CG1-CG 4.12Å; V142-M186 HydrophobicContact CG2-CG 4.12Å; V168-M186 CarbonylContact C-O 3.45Å; V168-M186 VanDerWaalsContact CA-O 3.28Å; V168-M186 WeakPolarHBondContact CA-O 3.47Å; V169-M186 HydrophobicContact CB-CE 4.26Å; V169-M186 HydrophobicContact CG1-CE 4.02Å; V169-M186 PolarHBondContact N-O 2.94Å; V169-M186 WeakPolarHBondContact O-CB 3.5Å; V169-M186 WeakPolarHBondContact O-CE 3.37Å; V169-M186 PolarHBondContact O-N 2.95Å; T171-M186 HydrophobicContact CG2-CE 4.42Å
187	L	94.6	Very high	92.1	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118	175.2	170.9	64.5	0	0	0	109.1	L141 W157 E164 A166 V168 M189 Y197	L141-L187 HydrophobicContact CB-CB 4.49Å; L141-L187 PolarHBondContact N-O 2.82Å; L141-L187 PolarHBondContact O-N 3.29Å; W157-L187 HydrophobicContact CB-CD2 4.26Å; W157-L187 HydrophobicContact CD2-CB 4.06Å; W157-L187 HydrophobicContact CD2-CD2 4.08Å; W157-L187 HydrophobicContact CE3-CD2 4.21Å; W157-L187 HydrophobicContact CG-CB 4.02Å; W157-L187 HydrophobicContact CG-CD2 4.12Å; W157-L187 HydrophobicContact CZ2-CB 4.45Å; E164-L187 HydrophobicContact CG-CD1 3.65Å; E164-L187 HydrophobicContact CG-CD2 4.33Å; A166-L187 WeakPolarHBondContact O-CD1 3.29Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å; L187-M189 HydrophobicContact CG-CB 4.36Å; L187-Y197 HydrophobicContact CD2-CD1 3.66Å; L187-Y197 HydrophobicContact CD2-CE1 3.97Å
188	E	92.1	Very high	92.1	Very high	97 Å²	97	55.4 Å²	55.4	45%	0.453	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.1	169.2	-166.4	-172.6	150.4	0	0	109.9	H138 L140 G167	H138-E188 HydrophobicContact CB-CG 4.11Å; H138-E188 IonicContact CE1-OE1 3.94Å; H138-E188 PolarHBondContact CE1-OE1 2.91Å; H138-E188 IonicContact CG-OE1 3.43Å; H138-E188 IonicContact ND1-OE1 3.59Å; H138-E188 PolarHBondContact ND1-OE1 2.63Å; L140-E188 HydrophobicContact CD1-CB 4.38Å; G167-E188 PolarHBondContact O-N 3.26Å
189	M	86.6	Confident	92.1	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164.3	-175.2	65.4	86.9	103.8	0	0	112.9	N139 L141 L187 P191 Y197 W214	N139-M189 HydrophobicContact CB-SD 4.03Å; N139-M189 PolarHBondContact N-O 3.38Å; N139-M189 WeakPolarHBondContact O-CG 3.47Å; N139-M189 PolarHBondContact O-N 3.48Å; N139-M189 VanDerWaalsContact O-O 3.08Å; L141-M189 HydrophobicContact CD1-CE 3.6Å; L141-M189 HydrophobicContact CD1-CG 4.26Å; L141-M189 HydrophobicContact CG-CE 3.97Å; L141-M189 HydrophobicContact CG-CG 4.1Å; L187-M189 HydrophobicContact CG-CB 4.36Å; M189-P191 HydrophobicContact CE-CB 3.75Å; M189-P191 HydrophobicContact SD-CB 3.74Å; M189-P191 WeakPolarHBondContact SD-CD 3.31Å; M189-P191 HydrophobicContact SD-CG 4.02Å; M189-P191 VanDerWaalsContact SD-N 3.38Å; M189-Y197 HydrophobicContact CB-CE1 4.11Å; M189-Y197 HydrophobicContact CE-CD1 4.27Å; M189-Y197 HydrophobicContact CE-CD2 3.66Å; M189-Y197 HydrophobicContact CE-CE1 3.84Å; M189-Y197 HydrophobicContact CE-CE2 3.19Å; M189-Y197 HydrophobicContact CE-CG 4.18Å; M189-Y197 HydrophobicContact CG-CE1 4.39Å; M189-W214 HydrophobicContact CE-CE3 4.18Å; M189-W214 HydrophobicContact CE-CH2 4.02Å; M189-W214 HydrophobicContact CE-CZ3 3.43Å; M189-W214 VanDerWaalsContact CE-CZ3 3.43Å
190	T	84.9	Confident	92.2	Very high	101 Å²	101	45.4 Å²	45.4	62%	0.62	24%	0.236	S	C	*	.			trans	-120.9	105.6	170	-56.5	0	0	0	0	107.8	Q192	T190-Q192 PolarHBondContact O-N 2.74Å
191	P	77.9	Confident	92.2	Very high	48 Å²	48	44.9 Å²	44.9	31%	0.312	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-69.2	120.8	-167.1	25.3	-30.3	0	0	0	110.2	N139 M189 W214 A216	N139-P191 HydrophobicContact CB-CG 4.44Å; N139-P191 WeakPolarHBondContact ND2-CD 3.46Å; M189-P191 HydrophobicContact CE-CB 3.75Å; M189-P191 HydrophobicContact SD-CB 3.74Å; M189-P191 WeakPolarHBondContact SD-CD 3.31Å; M189-P191 HydrophobicContact SD-CG 4.02Å; M189-P191 VanDerWaalsContact SD-N 3.38Å; P191-W214 HydrophobicContact CB-CH2 4.3Å; P191-A216 HydrophobicContact CB-CB 3.84Å
192	Q	80.4	Confident	92.2	Very high	116 Å²	116	47.9 Å²	47.9	54%	0.542	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-102	151.5	170.4	-49	-175.3	5.9	0	0	111	T190 G194 E195 A216	T190-Q192 PolarHBondContact O-N 2.74Å; Q192-G194 PolarHBondContact O-N 2.98Å; Q192-E195 VanDerWaalsContact CB-CD 3.48Å; Q192-E195 HydrophobicContact CB-CG 3.87Å; Q192-E195 PolarHBondContact N-OE2 3.42Å; Q192-E195 WeakPolarHBondContact O-CB 3.19Å; Q192-E195 WeakPolarHBondContact O-CG 3.36Å; Q192-E195 PolarHBondContact O-N 3.25Å; Q192-A216 VanDerWaalsContact O-CB 3.29Å; Q192-A216 WeakPolarHBondContact O-CB 3.46Å
193	R	80.5	Confident	92.2	Very high	225 Å²	225	45.2 Å²	45.2	85%	0.849	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	125.5	-176.1	-171.6	178.4	-174.3	-177.8	-0	110.5	E195	R193-E195 VanDerWaalsContact C-N 3.35Å
194	G	82.9	Confident	92.2	Very high	61 Å²	61	47.4 Å²	47.4	63%	0.629	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-3.7	177.6	0	0	0	0	0	114.5	Q192	Q192-G194 PolarHBondContact O-N 2.98Å
195	E	88.8	Confident	92.2	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.065	24%	0.244	C	C	.	.			trans	-70.7	143.2	173	-65.5	-173.1	139.8	0	0	112	R159 Q192 R193 Y197 A216	R159-E195 IonicContact CZ-OE1 3.41Å; R159-E195 IonicContact NE-OE1 3.59Å; R159-E195 PolarHBondContact NE-OE1 2.93Å; R159-E195 IonicContact NE-OE2 2.69Å; R159-E195 IonicContact NH2-OE1 3.66Å; R159-E195 PolarHBondContact NH2-OE1 3.44Å; R159-E195 IonicContact NH2-OE2 3.16Å; Q192-E195 VanDerWaalsContact CB-CD 3.48Å; Q192-E195 HydrophobicContact CB-CG 3.87Å; Q192-E195 PolarHBondContact N-OE2 3.42Å; Q192-E195 WeakPolarHBondContact O-CB 3.19Å; Q192-E195 WeakPolarHBondContact O-CG 3.36Å; Q192-E195 PolarHBondContact O-N 3.25Å; R193-E195 VanDerWaalsContact C-N 3.35Å; E195-Y197 HydrophobicContact CB-CD2 4.4Å; E195-Y197 HydrophobicContact CB-CE2 3.64Å; E195-Y197 PolarHBondContact OE2-OH 2.84Å; E195-A216 PolarHBondContact O-N 3.48Å
196	V	92.4	Very high	92.2	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.4	178	-171.4	0	0	0	0	108.7	N160 I198 E213 R215	N160-V196 PolarHBondContact N-O 2.98Å; N160-V196 PolarHBondContact OD1-N 2.72Å; V196-I198 HydrophobicContact CG1-CG1 4.17Å; V196-E213 HydrophobicContact CG1-CB 4.38Å; V196-E213 HydrophobicContact CG1-CG 4.49Å; V196-R215 HydrophobicContact CG1-CG 4.34Å; V196-R215 HydrophobicContact CG2-CG 4.26Å; V196-R215 VanDerWaalsContact CG2-NH1 3.28Å
197	Y	94.8	Very high	92.2	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.1	176	-64.5	-96.7	0	0	0	108.3	L141 F158 R159 L187 M189 E195 E213 W214	L141-Y197 HydrophobicContact CD1-CD1 3.87Å; L141-Y197 HydrophobicContact CD1-CD2 4.07Å; L141-Y197 HydrophobicContact CD1-CG 3.57Å; F158-Y197 CarbonylContact O-C 3.58Å; F158-Y197 WeakPolarHBondContact O-CA 3.5Å; R159-Y197 HydrophobicContact CB-CD1 4.32Å; R159-Y197 HydrophobicContact CB-CE1 4.25Å; R159-Y197 HydrophobicContact CG-CD1 4.25Å; R159-Y197 HydrophobicContact CG-CE1 3.82Å; R159-Y197 PolarHBondContact NE-OH 2.68Å; L187-Y197 HydrophobicContact CD2-CD1 3.66Å; L187-Y197 HydrophobicContact CD2-CE1 3.97Å; M189-Y197 HydrophobicContact CB-CE1 4.11Å; M189-Y197 HydrophobicContact CE-CD1 4.27Å; M189-Y197 HydrophobicContact CE-CD2 3.66Å; M189-Y197 HydrophobicContact CE-CE1 3.84Å; M189-Y197 HydrophobicContact CE-CE2 3.19Å; M189-Y197 HydrophobicContact CE-CG 4.18Å; M189-Y197 HydrophobicContact CG-CE1 4.39Å; E195-Y197 HydrophobicContact CB-CD2 4.4Å; E195-Y197 HydrophobicContact CB-CE2 3.64Å; E195-Y197 PolarHBondContact OE2-OH 2.84Å; Y197-E213 CarbonylContact O-C 3.48Å; Y197-E213 WeakPolarHBondContact O-CA 3.29Å; Y197-W214 AromaticContact CD2-CE3 3.84Å; Y197-W214 HydrophobicContact CD2-CE3 3.84Å; Y197-W214 HydrophobicContact CD2-CZ3 4.02Å; Y197-W214 HydrophobicContact CE2-CZ3 4.35Å; Y197-W214 HydrophobicContact CG-CE3 4.44Å; Y197-W214 PolarHBondContact N-O 2.79Å; Y197-W214 PolarHBondContact O-N 2.83Å
198	I	97.2	Very high	92.4	Very high	33 Å²	33	58.6 Å²	58.6	17%	0.169	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.3	-177	-49.4	-177.7	0	0	0	108.8	W157 F158 V196 T211 V212 E213	W157-I198 CarbonylContact C-O 3.55Å; W157-I198 WeakPolarHBondContact CA-O 3.49Å; F158-I198 HydrophobicContact CB-CB 4.18Å; F158-I198 PolarHBondContact N-O 3.02Å; F158-I198 PolarHBondContact O-N 2.85Å; V196-I198 HydrophobicContact CG1-CG1 4.17Å; I198-T211 HydrophobicContact CG2-CG2 4.21Å; I198-V212 WeakPolarHBondContact CA-O 3.22Å; I198-E213 HydrophobicContact CD1-CG 4.29Å; I198-E213 HydrophobicContact CG1-CG 4.11Å
199	C	98.1	Very high	92.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.8	165.2	-175.6	0	0	0	0	108.7	I127 C143 W157 T211 V212	I127-C199 HydrophobicContact CD1-CB 3.76Å; I127-C199 HydrophobicContact CG1-CB 3.99Å; C143-C199 HydrophobicContact CB-CB 3.66Å; C143-C199 WeakPolarHBondContact CB-SG 3.41Å; C143-C199 WeakPolarHBondContact SG-CB 3.36Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.03Å; W157-C199 HydrophobicContact CE3-CB 4.38Å; W157-C199 HydrophobicContact CH2-CB 4.21Å; W157-C199 HydrophobicContact CZ3-CB 4.12Å; C199-T211 WeakPolarHBondContact O-CA 3.37Å; C199-V212 PolarHBondContact N-O 2.88Å; C199-V212 PolarHBondContact O-N 2.85Å
200	H	98.4	Very high	93.1	Very high	29 Å²	29	58.3 Å²	58.3	13%	0.134	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.7	-179.5	178	-60.4	0	0	0	109.5	V155 R156 F158 P209 T211	V155-H200 WeakPolarHBondContact CA-O 3.43Å; R156-H200 HydrophobicContact CB-CB 4.46Å; R156-H200 PolarHBondContact N-O 3.29Å; R156-H200 PolarHBondContact NH2-CE1 2.81Å; R156-H200 PolarHBondContact NH2-ND1 2.69Å; R156-H200 PolarHBondContact NH2-NE2 2.91Å; R156-H200 PolarHBondContact O-N 3.37Å; F158-H200 HydrophobicContact CD2-CB 3.88Å; F158-H200 HydrophobicContact CE2-CB 3.7Å; H200-P209 WeakPolarHBondContact CE1-CB 3.36Å; H200-P209 WeakPolarHBondContact NE2-CB 3.48Å; H200-T211 HydrophobicContact CB-CG2 4.39Å
201	V	98.7	Very high	93.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.8	-176.6	-178	0	0	0	0	110.2	P123 V125 V145 I153 V155 P209 V210	P123-V201 HydrophobicContact CB-CG1 4.48Å; P123-V201 HydrophobicContact CG-CG1 4.03Å; V125-V201 HydrophobicContact CG1-CG2 3.89Å; V125-V201 HydrophobicContact CG2-CB 4.11Å; V125-V201 HydrophobicContact CG2-CG1 4.38Å; V125-V201 HydrophobicContact CG2-CG2 3.74Å; V145-V201 HydrophobicContact CG1-CG1 4.03Å; V145-V201 HydrophobicContact CG1-CG2 4.44Å; V145-V201 HydrophobicContact CG2-CG2 3.8Å; I153-V201 HydrophobicContact CD1-CG1 3.93Å; I153-V201 HydrophobicContact CG1-CG1 4.17Å; V155-V201 HydrophobicContact CG1-CG2 4.23Å; V155-V201 HydrophobicContact CG2-CG1 4.41Å; V155-V201 HydrophobicContact CG2-CG2 4.27Å; V201-P209 CarbonylContact O-C 3.52Å; V201-P209 VanDerWaalsContact O-CA 3.3Å; V201-P209 WeakPolarHBondContact O-CA 3.39Å; V201-P209 WeakPolarHBondContact O-CB 3.47Å; V201-V210 PolarHBondContact N-O 3.49Å; V201-V210 PolarHBondContact O-N 3.13Å
202	D	98.5	Very high	94.7	Very high	72 Å²	72	57 Å²	57	39%	0.385	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.3	174.6	-177.4	2.7	0	0	0	108.7	K154	K154-D202 HydrophobicContact CB-CB 4.27Å; K154-D202 PolarHBondContact N-O 2.7Å; K154-D202 PolarHBondContact O-N 3.34Å
203	H	98.7	Very high	95.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.308	C	S	.	.			trans	-154.5	141.5	-172.2	-178.6	-103.1	0	0	0	110.2	E121 P123 F148 Y149 P150 Q152 I153 S205 L206	E121-H203 PolarHBondContact O-CE1 2.85Å; E121-H203 VanDerWaalsContact O-CE1 3.29Å; P123-H203 HydrophobicContact CG-CB 4.24Å; F148-H203 AromaticContact CD2-CD2 3.86Å; F148-H203 AromaticContact CD2-NE2 3.66Å; Y149-H203 VanDerWaalsContact C-CE1 3.48Å; Y149-H203 PolarHBondContact O-CE1 3.38Å; P150-H203 PolarHBondContact O-NE2 3.17Å; P150-H203 VanDerWaalsContact O-NE2 3.1Å; Q152-H203 PolarHBondContact O-CD2 3.34Å; I153-H203 HydrophobicContact CG1-CB 4.3Å; H203-S205 PolarHBondContact CE1-OG 2.63Å; H203-S205 WeakPolarHBondContact ND1-CB 3.39Å; H203-S205 PolarHBondContact ND1-N 2.98Å; H203-S205 PolarHBondContact ND1-OG 3.2Å; H203-S205 PolarHBondContact O-N 2.86Å; H203-L206 HydrophobicContact CB-CD1 3.95Å; H203-L206 HydrophobicContact CB-CG 4.22Å; H203-L206 WeakPolarHBondContact O-CB 3.25Å; H203-L206 PolarHBondContact O-N 3.19Å
204	P	98.3	Very high	96	Very high	68 Å²	68	48.1 Å²	48.1	44%	0.442	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.2	-175.8	-28.4	36.5	0	0	0	116.4	L120 P150 Q152 L206	L120-P204 HydrophobicContact CD2-CB 4.44Å; P150-P204 HydrophobicContact CG-CG 4.39Å; Q152-P204 VanDerWaalsContact O-CD 3.27Å; Q152-P204 WeakPolarHBondContact O-CD 3.42Å; P204-L206 VanDerWaalsContact C-N 3.28Å
205	S	98.1	Very high	96.3	Very high	15 Å²	15	52 Å²	52	11%	0.105	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.4	176.4	76.3	0	0	0	0	113.9	E121 Q122 H203	E121-S205 PolarHBondContact O-OG 2.72Å; Q122-S205 VanDerWaalsContact CA-OG 3.31Å; Q122-S205 WeakPolarHBondContact CA-OG 3.49Å; Q122-S205 WeakPolarHBondContact CG-OG 3.49Å; H203-S205 PolarHBondContact CE1-OG 2.63Å; H203-S205 WeakPolarHBondContact ND1-CB 3.39Å; H203-S205 PolarHBondContact ND1-N 2.98Å; H203-S205 PolarHBondContact ND1-OG 3.2Å; H203-S205 PolarHBondContact O-N 2.86Å
206	L	98.1	Very high	95.9	Very high	26 Å²	26	52 Å²	52	14%	0.136	28%	0.276	C	S	.	.			trans	-104.6	131.8	-175	-62.4	174	0	0	0	109.8	Q122 P123 H203 P204 S208 V210	Q122-L206 HydrophobicContact CB-CD2 4.23Å; Q122-L206 HydrophobicContact CG-CD2 4.09Å; P123-L206 HydrophobicContact CG-CD1 3.89Å; P123-L206 HydrophobicContact CG-CD2 4.48Å; P123-L206 HydrophobicContact CG-CG 4.36Å; H203-L206 HydrophobicContact CB-CD1 3.95Å; H203-L206 HydrophobicContact CB-CG 4.22Å; H203-L206 WeakPolarHBondContact O-CB 3.25Å; H203-L206 PolarHBondContact O-N 3.19Å; P204-L206 VanDerWaalsContact C-N 3.28Å; L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 WeakPolarHBondContact CB-O 3.45Å; L206-V210 HydrophobicContact CD1-CB 4.32Å; L206-V210 HydrophobicContact CD1-CG2 3.78Å; L206-V210 HydrophobicContact CD2-CG2 3.87Å; L206-V210 HydrophobicContact CG-CG2 4.47Å
207	E	97.1	Very high	94.8	Very high	210 Å²	210	58.3 Å²	58.3	98%	0.981	30%	0.304	S	S	*	.	S	Bend	trans	-71.2	-32.4	172.6	-64.8	-177.2	176	0	0	112
208	S	97	Very high	92.6	Very high	84 Å²	84	60.5 Å²	60.5	59%	0.587	32%	0.319	S	S	*	.	S	Bend	trans	-140.5	151.4	175.9	60.1	0	0	0	0	110.1	L206	L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 WeakPolarHBondContact CB-O 3.45Å
209	P	97.4	Very high	90.5	Very high	57 Å²	57	66 Å²	66	37%	0.37	34%	0.344	S	S	.	.			trans	-61.4	141.9	-177.4	-22.9	33.4	0	0	0	112.9	H200 V201	H200-P209 WeakPolarHBondContact CE1-CB 3.36Å; H200-P209 WeakPolarHBondContact NE2-CB 3.48Å; V201-P209 CarbonylContact O-C 3.52Å; V201-P209 VanDerWaalsContact O-CA 3.3Å; V201-P209 WeakPolarHBondContact O-CA 3.39Å; V201-P209 WeakPolarHBondContact O-CB 3.47Å
210	V	97.9	Very high	88.3	Confident	44 Å²	44	68 Å²	68	27%	0.267	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.6	173.9	171.1	0	0	0	0	108.9	V125 V201 L206 V212	V125-V210 HydrophobicContact CB-CG1 4.1Å; V125-V210 HydrophobicContact CG2-CB 4.37Å; V125-V210 HydrophobicContact CG2-CG1 3.81Å; V201-V210 PolarHBondContact N-O 3.49Å; V201-V210 PolarHBondContact O-N 3.13Å; L206-V210 HydrophobicContact CD1-CB 4.32Å; L206-V210 HydrophobicContact CD1-CG2 3.78Å; L206-V210 HydrophobicContact CD2-CG2 3.87Å; L206-V210 HydrophobicContact CG-CG2 4.47Å; V210-V212 HydrophobicContact CG1-CG2 4.22Å
211	T	97.3	Very high	85.9	Confident	82 Å²	82	69 Å²	69	50%	0.503	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.7	174.9	56.5	0	0	0	0	110.3	I198 C199 H200	I198-T211 HydrophobicContact CG2-CG2 4.21Å; C199-T211 WeakPolarHBondContact O-CA 3.37Å; H200-T211 HydrophobicContact CB-CG2 4.39Å
212	V	97.4	Very high	83.7	Confident	39 Å²	39	75.3 Å²	75.3	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.1	173.9	-178.9	0	0	0	0	108.4	V125 I127 I198 C199 V210	V125-V212 HydrophobicContact CB-CG2 3.78Å; V125-V212 HydrophobicContact CG1-CB 4.18Å; V125-V212 HydrophobicContact CG1-CG2 3.56Å; I127-V212 HydrophobicContact CD1-CB 4.07Å; I127-V212 HydrophobicContact CD1-CG1 3.9Å; I127-V212 WeakPolarHBondContact CD1-O 3.45Å; I127-V212 HydrophobicContact CG1-CB 4.29Å; I127-V212 HydrophobicContact CG1-CG1 3.96Å; I198-V212 WeakPolarHBondContact CA-O 3.22Å; C199-V212 PolarHBondContact N-O 2.88Å; C199-V212 PolarHBondContact O-N 2.85Å; V210-V212 HydrophobicContact CG1-CG2 4.22Å
213	E	95.7	Very high	81.8	Confident	104 Å²	104	75.3 Å²	75.3	49%	0.486	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.4	178.3	-57.9	-165.4	167.5	0	0	111.4	V196 Y197 I198 R215	V196-E213 HydrophobicContact CG1-CB 4.38Å; V196-E213 HydrophobicContact CG1-CG 4.49Å; Y197-E213 CarbonylContact O-C 3.48Å; Y197-E213 WeakPolarHBondContact O-CA 3.29Å; I198-E213 HydrophobicContact CD1-CG 4.29Å; I198-E213 HydrophobicContact CG1-CG 4.11Å; E213-R215 IonicContact OE2-CZ 3.47Å; E213-R215 IonicContact OE2-NE 2.91Å; E213-R215 IonicContact OE2-NH2 3.67Å; E213-R215 PolarHBondContact OE2-NH2 3.32Å
214	W	93.4	Very high	79.8	Confident	51 Å²	51	82.1 Å²	82.1	19%	0.193	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.3	166.5	-175.4	95.1	0	0	0	109.5	I127 L129 L141 M189 P191 Y197 A216	I127-W214 HydrophobicContact CB-CB 4.23Å; I127-W214 HydrophobicContact CD1-CB 3.98Å; I127-W214 HydrophobicContact CG2-CB 3.69Å; I127-W214 HydrophobicContact CG2-CG 3.88Å; L129-W214 HydrophobicContact CD1-CZ2 4.32Å; L129-W214 HydrophobicContact CD2-CZ2 4.37Å; L141-W214 HydrophobicContact CD1-CD2 4.17Å; L141-W214 HydrophobicContact CD1-CE3 3.75Å; L141-W214 HydrophobicContact CD1-CZ3 4.2Å; L141-W214 HydrophobicContact CD2-CD2 3.57Å; L141-W214 HydrophobicContact CD2-CE3 3.84Å; L141-W214 HydrophobicContact CD2-CG 4Å; L141-W214 HydrophobicContact CD2-CH2 4.21Å; L141-W214 HydrophobicContact CD2-CZ2 3.99Å; L141-W214 HydrophobicContact CD2-CZ3 4.16Å; L141-W214 HydrophobicContact CG-CE3 4.41Å; M189-W214 HydrophobicContact CE-CE3 4.18Å; M189-W214 HydrophobicContact CE-CH2 4.02Å; M189-W214 HydrophobicContact CE-CZ3 3.43Å; M189-W214 VanDerWaalsContact CE-CZ3 3.43Å; P191-W214 HydrophobicContact CB-CH2 4.3Å; Y197-W214 AromaticContact CD2-CE3 3.84Å; Y197-W214 HydrophobicContact CD2-CE3 3.84Å; Y197-W214 HydrophobicContact CD2-CZ3 4.02Å; Y197-W214 HydrophobicContact CE2-CZ3 4.35Å; Y197-W214 HydrophobicContact CG-CE3 4.44Å; Y197-W214 PolarHBondContact N-O 2.79Å; Y197-W214 PolarHBondContact O-N 2.83Å; W214-A216 HydrophobicContact CH2-CB 4.1Å; W214-A216 HydrophobicContact CZ3-CB 3.86Å
215	R	89.2	Confident	77.9	Confident	141 Å²	141	85.2 Å²	85.2	53%	0.532	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.1	-179.3	-63.7	-177.4	-179.7	-102.8	-7.8	109.7	V196 E213 Q217	V196-R215 HydrophobicContact CG1-CG 4.34Å; V196-R215 HydrophobicContact CG2-CG 4.26Å; V196-R215 VanDerWaalsContact CG2-NH1 3.28Å; E213-R215 IonicContact OE2-CZ 3.47Å; E213-R215 IonicContact OE2-NE 2.91Å; E213-R215 IonicContact OE2-NH2 3.67Å; E213-R215 PolarHBondContact OE2-NH2 3.32Å; R215-Q217 PolarHBondContact O-N 2.9Å
216	A	79.9	Confident	76.1	Confident	16 Å²	16	90.7 Å²	90.7	13%	0.132	47%	0.474	C	S	.	.			trans	-64.7	98.8	172.5	0	0	0	0	0	109.7	P191 Q192 E195 W214	P191-A216 HydrophobicContact CB-CB 3.84Å; Q192-A216 VanDerWaalsContact O-CB 3.29Å; Q192-A216 WeakPolarHBondContact O-CB 3.46Å; E195-A216 PolarHBondContact O-N 3.48Å; W214-A216 HydrophobicContact CH2-CB 4.1Å; W214-A216 HydrophobicContact CZ3-CB 3.86Å
217	Q	68.7	Low	74.9	Confident	152 Å²	152	93.6 Å²	93.6	71%	0.71	50%	0.496	S	S	*	.			trans	-75.8	136.6	171	-64	-164.2	-1.4	0	0	109.1	R215	R215-Q217 PolarHBondContact O-N 2.9Å
218	S	50.2	Low	73.7	Confident	47 Å²	47	85.8 Å²	85.8	33%	0.329	47%	0.472	S	S	.	.			trans	-73.9	132.2	170.5	83.8	0	0	0	0	109.1	S220 A221	S218-S220 PolarHBondContact O-N 3.48Å; S218-S220 WeakPolarHBondContact OG-CB 3.23Å; S218-A221 PolarHBondContact O-N 3.07Å
219	E	52.8	Low	72.8	Confident	148 Å²	148	86.5 Å²	86.5	69%	0.692	47%	0.468	S	S	*	.	H	α-helix	trans	-48.9	-25.4	171.9	-70.3	-171.8	150.6	0	0	112.8	R131 A221 S223	R131-E219 IonicContact NH2-OE1 2.65Å; E219-A221 VanDerWaalsContact C-N 3.26Å; E219-A221 PolarHBondContact O-N 2.62Å; E219-S223 PolarHBondContact O-N 3.12Å
220	S	51	Low	71.8	Confident	41 Å²	41	85.3 Å²	85.3	29%	0.287	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-25.4	174.1	176.9	0	0	0	0	114.4	S218 K224	S218-S220 PolarHBondContact O-N 3.48Å; S218-S220 WeakPolarHBondContact OG-CB 3.23Å; S220-K224 WeakPolarHBondContact O-CB 3.01Å; S220-K224 VanDerWaalsContact O-CD 3.28Å; S220-K224 WeakPolarHBondContact O-CD 3.47Å; S220-K224 WeakPolarHBondContact O-CG 3.29Å; S220-K224 PolarHBondContact O-N 3.42Å; S220-K224 VanDerWaalsContact O-N 3.16Å; S220-K224 VanDerWaalsContact OG-CD 3.31Å; S220-K224 WeakPolarHBondContact OG-CD 3.49Å; S220-K224 WeakPolarHBondContact OG-CE 3.5Å; S220-K224 PolarHBondContact OG-NZ 3.48Å
221	A	49.3	Very low	71.1	Confident	52 Å²	52	85.3 Å²	85.3	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-78.2	-42.4	-177.3	0	0	0	0	0	111.6	S218 E219 M225	S218-A221 PolarHBondContact O-N 3.07Å; E219-A221 VanDerWaalsContact C-N 3.26Å; E219-A221 PolarHBondContact O-N 2.62Å; A221-M225 PolarHBondContact O-N 2.77Å; A221-M225 VanDerWaalsContact O-N 3.07Å
222	Q	52.7	Low	70.5	Confident	132 Å²	132	88.7 Å²	88.7	62%	0.617	48%	0.483	S	S	*	.	H	α-helix	trans	-68.5	-43.7	175.6	-110.8	176.2	-17	0	0	111.6	M225 L226	Q222-M225 PolarHBondContact O-N 2.81Å; Q222-L226 WeakPolarHBondContact O-CD1 3.41Å; Q222-L226 PolarHBondContact O-N 2.8Å
223	S	56.9	Low	70.1	Confident	71 Å²	71	90.5 Å²	90.5	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-69	-35.2	179.3	82	0	0	0	0	112.8	E219 L226 S227	E219-S223 PolarHBondContact O-N 3.12Å; S223-L226 PolarHBondContact O-N 3.07Å; S223-S227 WeakPolarHBondContact O-CB 3.25Å; S223-S227 PolarHBondContact O-N 3.34Å
224	K	57.8	Low	69.8	Low	145 Å²	145	90.3 Å²	90.3	63%	0.63	50%	0.496	S	S	*	.	H	α-helix	trans	-69.3	-36.2	174.3	-75.4	174.7	178.4	160.9	0	112.5	S220 G228	S220-K224 WeakPolarHBondContact O-CB 3.01Å; S220-K224 VanDerWaalsContact O-CD 3.28Å; S220-K224 WeakPolarHBondContact O-CD 3.47Å; S220-K224 WeakPolarHBondContact O-CG 3.29Å; S220-K224 PolarHBondContact O-N 3.42Å; S220-K224 VanDerWaalsContact O-N 3.16Å; S220-K224 VanDerWaalsContact OG-CD 3.31Å; S220-K224 WeakPolarHBondContact OG-CD 3.49Å; S220-K224 WeakPolarHBondContact OG-CE 3.5Å; S220-K224 PolarHBondContact OG-NZ 3.48Å; K224-G228 PolarHBondContact O-N 3.4Å
225	M	58	Low	69.5	Low	133 Å²	133	89.4 Å²	89.4	66%	0.655	50%	0.503	S	S	*	.	H	α-helix	trans	-64.2	-45.6	172.5	-105.2	-175	75.1	0	0	111.8	A221 Q222 G228 I229	A221-M225 PolarHBondContact O-N 2.77Å; A221-M225 VanDerWaalsContact O-N 3.07Å; Q222-M225 PolarHBondContact O-N 2.81Å; M225-G228 PolarHBondContact O-N 3.46Å; M225-I229 VanDerWaalsContact O-CG1 3.31Å; M225-I229 WeakPolarHBondContact O-CG1 3.45Å; M225-I229 PolarHBondContact O-N 2.86Å
226	L	61.3	Low	69.6	Low	129 Å²	129	86.4 Å²	86.4	68%	0.675	50%	0.5	S	S	*	.	H	α-helix	trans	-65.7	-39.9	178.7	-93.2	128.4	0	0	0	112.8	Q222 S223 G230	Q222-L226 WeakPolarHBondContact O-CD1 3.41Å; Q222-L226 PolarHBondContact O-N 2.8Å; S223-L226 PolarHBondContact O-N 3.07Å; L226-G230 PolarHBondContact O-N 3.27Å
227	S	71	Confident	70.2	Confident	88 Å²	88	89.9 Å²	89.9	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-67	-39.6	174.3	-176.8	0	0	0	0	112.1	S223 G230 G231	S223-S227 WeakPolarHBondContact O-CB 3.25Å; S223-S227 PolarHBondContact O-N 3.34Å; S227-G230 PolarHBondContact O-N 3.32Å; S227-G231 PolarHBondContact O-N 3.35Å
228	G	72.5	Confident	71.2	Confident	45 Å²	45	89.6 Å²	89.6	46%	0.464	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-43.2	176.3	0	0	0	0	0	113.2	K224 M225 G231 F232	K224-G228 PolarHBondContact O-N 3.4Å; M225-G228 PolarHBondContact O-N 3.46Å; G228-G231 PolarHBondContact O-N 3.28Å; G228-F232 WeakPolarHBondContact O-CB 3.37Å; G228-F232 PolarHBondContact O-N 3.04Å
229	I	77.6	Confident	73	Confident	99 Å²	99	93 Å²	93	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-44.1	175.7	-67.1	165.9	0	0	0	110.6	M225 G231 F232 V233	M225-I229 VanDerWaalsContact O-CG1 3.31Å; M225-I229 WeakPolarHBondContact O-CG1 3.45Å; M225-I229 PolarHBondContact O-N 2.86Å; I229-G231 VanDerWaalsContact C-N 3.34Å; I229-G231 PolarHBondContact O-N 3.05Å; I229-F232 PolarHBondContact O-N 2.9Å; I229-V233 HydrophobicContact CG2-CG2 4.39Å; I229-V233 WeakPolarHBondContact O-CG2 3.4Å; I229-V233 PolarHBondContact O-N 3.49Å
230	G	76.6	Confident	74.7	Confident	33 Å²	33	87.9 Å²	87.9	34%	0.34	51%	0.513	S	S	.	.	H	α-helix	trans	-59	-43.4	175.9	0	0	0	0	0	112.9	L226 S227 L234	L226-G230 PolarHBondContact O-N 3.27Å; S227-G230 PolarHBondContact O-N 3.32Å; G230-L234 WeakPolarHBondContact O-CG 3.41Å; G230-L234 PolarHBondContact O-N 3.23Å; G230-L234 VanDerWaalsContact O-N 3.11Å
231	G	83.4	Confident	76.6	Confident	43 Å²	43	90.4 Å²	90.4	44%	0.443	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-40.5	176.2	0	0	0	0	0	113.3	S227 G228 I229 G235	S227-G231 PolarHBondContact O-N 3.35Å; G228-G231 PolarHBondContact O-N 3.28Å; I229-G231 VanDerWaalsContact C-N 3.34Å; I229-G231 PolarHBondContact O-N 3.05Å; G231-G235 PolarHBondContact O-N 2.95Å
232	F	85.5	Confident	78.3	Confident	154 Å²	154	89.9 Å²	89.9	68%	0.675	52%	0.522	S	S	*	.	H	α-helix	trans	-65.8	-44.9	178.1	-173	-98.3	0	0	0	112.1	G228 I229 L234 G235 V236	G228-F232 WeakPolarHBondContact O-CB 3.37Å; G228-F232 PolarHBondContact O-N 3.04Å; I229-F232 PolarHBondContact O-N 2.9Å; F232-L234 PolarHBondContact O-N 2.99Å; F232-G235 PolarHBondContact O-N 3.44Å; F232-V236 HydrophobicContact CD1-CG2 4.18Å; F232-V236 HydrophobicContact CE1-CG2 3.83Å; F232-V236 HydrophobicContact CZ-CG2 4.1Å; F232-V236 WeakPolarHBondContact O-CG2 3.16Å; F232-V236 PolarHBondContact O-N 3.25Å
233	V	88.9	Confident	79.9	Confident	76 Å²	76	88.7 Å²	88.7	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-45	177.9	172.8	0	0	0	0	110.9	I229 G235 V236 I237	I229-V233 HydrophobicContact CG2-CG2 4.39Å; I229-V233 WeakPolarHBondContact O-CG2 3.4Å; I229-V233 PolarHBondContact O-N 3.49Å; V233-G235 VanDerWaalsContact C-N 3.34Å; V233-G235 PolarHBondContact O-N 3.34Å; V233-V236 PolarHBondContact O-N 3.5Å; V233-I237 HydrophobicContact CG1-CD1 4.02Å; V233-I237 WeakPolarHBondContact O-CG1 3.43Å; V233-I237 PolarHBondContact O-N 2.84Å; V233-I237 VanDerWaalsContact O-N 3.1Å
234	L	88.1	Confident	81.1	Confident	100 Å²	100	91.4 Å²	91.4	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-60.4	-44.5	175	-73.3	169.6	0	0	0	111.4	G230 F232 V236 I237 F238	G230-L234 WeakPolarHBondContact O-CG 3.41Å; G230-L234 PolarHBondContact O-N 3.23Å; G230-L234 VanDerWaalsContact O-N 3.11Å; F232-L234 PolarHBondContact O-N 2.99Å; L234-V236 PolarHBondContact O-N 2.99Å; L234-I237 PolarHBondContact O-N 3.45Å; L234-F238 WeakPolarHBondContact O-CD2 3.3Å; L234-F238 PolarHBondContact O-N 3.33Å
235	G	87.9	Confident	82.3	Confident	33 Å²	33	89.2 Å²	89.2	34%	0.34	52%	0.516	S	S	.	.	H	α-helix	trans	-58.5	-42.9	177	0	0	0	0	0	113.6	G231 F232 V233 F238 L239	G231-G235 PolarHBondContact O-N 2.95Å; F232-G235 PolarHBondContact O-N 3.44Å; V233-G235 VanDerWaalsContact C-N 3.34Å; V233-G235 PolarHBondContact O-N 3.34Å; G235-F238 PolarHBondContact O-N 3.23Å; G235-L239 WeakPolarHBondContact O-CB 3.27Å; G235-L239 PolarHBondContact O-N 3.46Å
236	V	92	Very high	83.3	Confident	78 Å²	78	90.5 Å²	90.5	47%	0.473	51%	0.514	S	S	.	.	H	α-helix	trans	-65.5	-40	177.3	174.2	0	0	0	0	111.6	F232 V233 L234 L239 G240	F232-V236 HydrophobicContact CD1-CG2 4.18Å; F232-V236 HydrophobicContact CE1-CG2 3.83Å; F232-V236 HydrophobicContact CZ-CG2 4.1Å; F232-V236 WeakPolarHBondContact O-CG2 3.16Å; F232-V236 PolarHBondContact O-N 3.25Å; V233-V236 PolarHBondContact O-N 3.5Å; L234-V236 PolarHBondContact O-N 2.99Å; V236-L239 PolarHBondContact O-N 3Å; V236-G240 PolarHBondContact O-N 2.95Å
237	I	91.3	Very high	83.9	Confident	89 Å²	89	89.5 Å²	89.5	46%	0.456	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-46.6	176.5	-68.4	166.4	0	0	0	110.6	V233 L234 L239 G240 L241	V233-I237 HydrophobicContact CG1-CD1 4.02Å; V233-I237 WeakPolarHBondContact O-CG1 3.43Å; V233-I237 PolarHBondContact O-N 2.84Å; V233-I237 VanDerWaalsContact O-N 3.1Å; L234-I237 PolarHBondContact O-N 3.45Å; I237-L239 PolarHBondContact O-N 3.18Å; I237-G240 PolarHBondContact O-N 2.85Å; I237-L241 HydrophobicContact CG2-CD1 3.82Å; I237-L241 WeakPolarHBondContact O-CB 3.34Å; I237-L241 PolarHBondContact O-N 3.34Å
238	F	89.9	Confident	84.1	Confident	145 Å²	145	92.1 Å²	92.1	64%	0.636	51%	0.506	S	S	*	.	H	α-helix	trans	-64.3	-39.7	177.8	-79.5	-68.5	0	0	0	112.7	L234 G235 G242	L234-F238 WeakPolarHBondContact O-CD2 3.3Å; L234-F238 PolarHBondContact O-N 3.33Å; G235-F238 PolarHBondContact O-N 3.23Å; F238-G242 PolarHBondContact O-N 3.28Å
239	L	89.6	Confident	83.8	Confident	120 Å²	120	100.2 Å²	100.2	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-63.6	-44.5	174.4	-83.8	162.5	0	0	0	112	G235 V236 I237 G242 L243	G235-L239 WeakPolarHBondContact O-CB 3.27Å; G235-L239 PolarHBondContact O-N 3.46Å; V236-L239 PolarHBondContact O-N 3Å; I237-L239 PolarHBondContact O-N 3.18Å; L239-G242 PolarHBondContact O-N 3.19Å; L239-L243 WeakPolarHBondContact O-CB 3.43Å; L239-L243 WeakPolarHBondContact O-CG 3.25Å; L239-L243 PolarHBondContact O-N 3.07Å
240	G	88.1	Confident	83	Confident	40 Å²	40	102.2 Å²	102.2	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-46.9	176.3	0	0	0	0	0	112.5	V236 I237 L243 F244	V236-G240 PolarHBondContact O-N 2.95Å; I237-G240 PolarHBondContact O-N 2.85Å; G240-L243 PolarHBondContact O-N 2.85Å; G240-F244 WeakPolarHBondContact O-CB 3.45Å; G240-F244 PolarHBondContact O-N 3.42Å
241	L	89.6	Confident	82.2	Confident	93 Å²	93	108.2 Å²	108.2	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-61.2	-43.9	175.1	-80.7	160.3	0	0	0	111.9	I237 L243 F244 I245	I237-L241 HydrophobicContact CG2-CD1 3.82Å; I237-L241 WeakPolarHBondContact O-CB 3.34Å; I237-L241 PolarHBondContact O-N 3.34Å; L241-L243 PolarHBondContact O-N 2.87Å; L241-F244 PolarHBondContact O-N 3.42Å; L241-I245 WeakPolarHBondContact O-CG1 3.41Å; L241-I245 PolarHBondContact O-N 2.75Å
242	G	85.9	Confident	80.6	Confident	41 Å²	41	108.7 Å²	108.7	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-60.4	-44.6	176.8	0	0	0	0	0	112.7	F238 L239 R246	F238-G242 PolarHBondContact O-N 3.28Å; L239-G242 PolarHBondContact O-N 3.19Å; G242-R246 WeakPolarHBondContact O-CB 3.46Å; G242-R246 PolarHBondContact O-N 2.94Å
243	L	85.8	Confident	79.1	Confident	107 Å²	107	107.5 Å²	107.5	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-65	-40.9	175.9	-72.9	172.6	0	0	0	112	L239 G240 L241 R246 H247	L239-L243 WeakPolarHBondContact O-CB 3.43Å; L239-L243 WeakPolarHBondContact O-CG 3.25Å; L239-L243 PolarHBondContact O-N 3.07Å; G240-L243 PolarHBondContact O-N 2.85Å; L241-L243 PolarHBondContact O-N 2.87Å; L243-R246 PolarHBondContact O-N 2.67Å; L243-H247 WeakPolarHBondContact O-CB 3.35Å; L243-H247 PolarHBondContact O-N 2.78Å
244	F	82.8	Confident	77.2	Confident	128 Å²	128	115.9 Å²	115.9	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-62.6	-45.8	177.5	-177.5	-99.6	0	0	0	112.3	G240 L241 R246 H247 K248	G240-F244 WeakPolarHBondContact O-CB 3.45Å; G240-F244 PolarHBondContact O-N 3.42Å; L241-F244 PolarHBondContact O-N 3.42Å; F244-R246 VanDerWaalsContact C-N 3.34Å; F244-R246 PolarHBondContact O-N 3.07Å; F244-H247 PolarHBondContact O-N 3.31Å; F244-K248 HydrophobicContact CE1-CD 4.39Å; F244-K248 HydrophobicContact CE1-CG 4.33Å; F244-K248 HydrophobicContact CZ-CD 4.49Å; F244-K248 HydrophobicContact CZ-CG 4.4Å; F244-K248 PolarHBondContact O-N 3.14Å
245	I	83.1	Confident	75.5	Confident	99 Å²	99	114 Å²	114	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-62.5	-43	176.5	-66.4	168.2	0	0	0	110.4	L241 H247 K248 R249	L241-I245 WeakPolarHBondContact O-CG1 3.41Å; L241-I245 PolarHBondContact O-N 2.75Å; I245-H247 VanDerWaalsContact C-N 3.32Å; I245-H247 PolarHBondContact O-N 3.46Å; I245-K248 PolarHBondContact O-N 3.13Å; I245-R249 PolarHBondContact O-N 3.27Å
246	R	79	Confident	74.1	Confident	160 Å²	160	118.3 Å²	118.3	60%	0.604	61%	0.609	S	S	*	*	H	α-helix	trans	-61.3	-42.1	176.8	-161.9	178.1	89.5	154.8	4.2	111.7	G242 L243 F244 R249 Q250	G242-R246 WeakPolarHBondContact O-CB 3.46Å; G242-R246 PolarHBondContact O-N 2.94Å; L243-R246 PolarHBondContact O-N 2.67Å; F244-R246 VanDerWaalsContact C-N 3.34Å; F244-R246 PolarHBondContact O-N 3.07Å; R246-R249 PolarHBondContact O-N 2.79Å; R246-Q250 PolarHBondContact O-N 2.91Å; R246-Q250 VanDerWaalsContact O-N 3.08Å
247	H	74.2	Confident	72.3	Confident	109 Å²	109	120.4 Å²	120.4	51%	0.505	62%	0.624	S	S	.	*	H	α-helix	trans	-70	-30.7	179.6	-153.8	-52.2	0	0	0	112.8	L243 F244 I245	L243-H247 WeakPolarHBondContact O-CB 3.35Å; L243-H247 PolarHBondContact O-N 2.78Å; F244-H247 PolarHBondContact O-N 3.31Å; I245-H247 VanDerWaalsContact C-N 3.32Å; I245-H247 PolarHBondContact O-N 3.46Å
248	K	74.3	Confident	70.5	Confident	143 Å²	143	122.3 Å²	122.3	62%	0.622	64%	0.642	S	S	*	*	H	α-helix	trans	-72.2	-36.9	169.9	-84.6	-138.7	177.3	-175.9	0	112.7	F244 I245 Q250 K251	F244-K248 HydrophobicContact CE1-CD 4.39Å; F244-K248 HydrophobicContact CE1-CG 4.33Å; F244-K248 HydrophobicContact CZ-CD 4.49Å; F244-K248 HydrophobicContact CZ-CG 4.4Å; F244-K248 PolarHBondContact O-N 3.14Å; I245-K248 PolarHBondContact O-N 3.13Å; K248-Q250 VanDerWaalsContact C-N 3.33Å; K248-Q250 PolarHBondContact O-N 3.3Å; K248-K251 CarbonylContact O-C 3.55Å; K248-K251 PolarHBondContact O-N 3.16Å; K248-K251 VanDerWaalsContact O-N 3.07Å
249	R	65.8	Low	68.5	Low	215 Å²	215	120.2 Å²	120.2	81%	0.811	65%	0.652	S	S	*	*	H	α-helix	trans	-64.3	-35.3	174.3	-88.1	-170.7	175.9	-177.3	-0	113.2	I245 R246 K251	I245-R249 PolarHBondContact O-N 3.27Å; R246-R249 PolarHBondContact O-N 2.79Å; R249-K251 PolarHBondContact O-N 2.9Å
250	Q	61.4	Low	66.3	Low	140 Å²	140	117.5 Å²	117.5	65%	0.654	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-12.6	173.8	-72	-177.4	-11.5	0	0	113.3	R246 K248	R246-Q250 PolarHBondContact O-N 2.91Å; R246-Q250 VanDerWaalsContact O-N 3.08Å; K248-Q250 VanDerWaalsContact C-N 3.33Å; K248-Q250 PolarHBondContact O-N 3.3Å
251	K	59.1	Low	64.2	Low	159 Å²	159	123 Å²	123	69%	0.691	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	49.2	173.2	-67.6	-175.6	176.5	-179.2	0	111.6	K248 R249	K248-K251 CarbonylContact O-C 3.55Å; K248-K251 PolarHBondContact O-N 3.16Å; K248-K251 VanDerWaalsContact O-N 3.07Å; R249-K251 PolarHBondContact O-N 2.9Å
252	G	50.3	Low	62	Low	53 Å²	53	125.7 Å²	125.7	55%	0.546	69%	0.687	S	S	.	*			trans	-63.8	154	166.7	0	0	0	0	0	112
253	P	53.7	Low	59.9	Low	129 Å²	129	136.5 Å²	136.5	84%	0.838	73%	0.726	S	S	*	*			trans	-71.5	133.9	-162.1	-10	25.9	0	0	0	112.4	G255	P253-G255 PolarHBondContact O-N 3.41Å; P253-G255 VanDerWaalsContact O-N 3.09Å
254	R	50.2	Low	58.6	Low	253 Å²	253	138 Å²	138	96%	0.955	73%	0.734	S	S	*	*			trans	-69.6	103	162.3	-69.7	-177.3	-165.7	163.9	3.5	107.5
255	G	52.1	Low	57.3	Low	61 Å²	61	138.5 Å²	138.5	63%	0.629	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-61.1	150.6	172.3	0	0	0	0	0	111.4	P253	P253-G255 PolarHBondContact O-N 3.41Å; P253-G255 VanDerWaalsContact O-N 3.09Å
256	P	57.9	Low	55.9	Low	122 Å²	122	140.7 Å²	140.7	79%	0.792	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-70.1	151.7	-178.3	30.2	-33.9	0	0	0	111.3
257	P	54.8	Low	54.5	Low	122 Å²	122	139.6 Å²	139.6	79%	0.792	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-72.9	141.8	-177	29.4	-32.4	0	0	0	111.3
258	P	52.6	Low	53.3	Low	129 Å²	129	141.5 Å²	141.5	84%	0.838	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75	144.8	175.6	28.4	-30.7	0	0	0	112.1
259	A	47.4	Very low	51.9	Low	102 Å²	102	141.4 Å²	141.4	84%	0.843	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-73.5	136.2	177.2	0	0	0	0	0	112.5
260	G	44.2	Very low	50.9	Low	63 Å²	63	136.1 Å²	136.1	65%	0.649	79%	0.791	S	S	*	*				59	119.8	129.3	0	0	0	0	0	122.4
261	L	44.4	Very low	50.1	Low	154 Å²	154	135.8 Å²	135.8	81%	0.806	80%	0.802	S	S	*	*				81.8	129	125.4	-94.1	86.3	0	0	0	122.4
262	L	42.1	Very low	49.4	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	81%	0.811	S	S	*	*			trans	51.9	112.9	139.2	-58.3	176.8	0	0	0	118.2
263	Q	42.5	Very low	49.3	Very low	268 Å²	268	141.3 Å²	141.3	100%	1.252	84%	0.835	S	S	*	*				-172.1	0	85.3	-139.4	165	-9	0	0	110.2

Retrieved 263 of 263 residues in 276 ms (Link to these results)

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